 Entering Gaussian System, Link 0=g16
 Input=17_camphor_STD_B3LYPDBJ-augccpVDZr.in
 Output=17_camphor_STD_B3LYPDBJ-augccpVDZr.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            ****
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
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                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
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                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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            P    11   1.00
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
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                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
                  9.0271500              0.0203960
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
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            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
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            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
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            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
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                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_augccpVDZ/17_camphor_STD/Gau-114054.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_augccpVDZ/17_camphor_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=    114055.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                 9-Jul-2021 
 ******************************************
 %NoSave
 %nproc=12
 Will use up to   12 processors via shared memory.
 %mem=128GB
 %chk=17_camphor_STD_B3LYPDBJ-augccpVDZr
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Fri Jul  9 21:22:27 2021, MaxMem= 17179869184 cpu:               2.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "17_camphor_STD_B3LYPDBJ-augccpVDZr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 0.909392000000     -0.256340000000      0.424222000000
  C                                                -0.288665000000     -0.500024000000     -0.551274000000
  C                                                -0.053948000000      0.598961000000     -1.631490000000
  C                                                 0.591340000000      1.776614000000     -0.850814000000
  C                                                 0.596393000000      1.259663000000      0.600580000000
  C                                                -1.441722000000      0.068745000000      0.275102000000
  C                                                -0.867880000000      1.247572000000      1.065930000000
  C                                                -0.529239000000     -1.889055000000     -1.090275000000
  O                                                -2.580268000000     -0.322725000000      0.294255000000
  C                                                 2.280642000000     -0.533766000000     -0.190909000000
  C                                                 0.806031000000     -1.067470000000      1.719398000000
  H                                                 0.609760000000      0.209736000000     -2.403647000000
  H                                                -0.986507000000      0.874939000000     -2.124235000000
  H                                                 0.019349000000      2.699916000000     -0.943059000000
  H                                                 1.598811000000      1.987373000000     -1.206735000000
  H                                                -0.984333000000      1.058438000000      2.133454000000
  H                                                -1.413116000000      2.164495000000      0.837905000000
  H                                                 1.274732000000      1.792071000000      1.266719000000
  H                                                -1.431450000000     -1.907859000000     -1.702944000000
  H                                                -0.672824000000     -2.608440000000     -0.282929000000
  H                                                 0.309210000000     -2.221656000000     -1.704806000000
  H                                                 2.441196000000     -0.030031000000     -1.141406000000
  H                                                 2.414644000000     -1.604084000000     -0.357383000000
  H                                                 3.068204000000     -0.208479000000      0.493063000000
  H                                                -0.176749000000     -1.018099000000      2.186698000000
  H                                                 1.540309000000     -0.715601000000      2.447452000000
  H                                                 1.016848000000     -2.120323000000      1.524992000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1
 NAtoms=     27 NQM=       27 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          12          16          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12           1           1           1           1           1           1           1           1           1
 AtmWgt=  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           1           1           1           1           1           1           1           1           1
 AtZEff=   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27
 IAtWgt=           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Fri Jul  9 21:22:28 2021, MaxMem= 17179869184 cpu:               1.5 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.909392   -0.256340    0.424222
      2          6           0       -0.288665   -0.500024   -0.551274
      3          6           0       -0.053948    0.598961   -1.631490
      4          6           0        0.591340    1.776614   -0.850814
      5          6           0        0.596393    1.259663    0.600580
      6          6           0       -1.441722    0.068745    0.275102
      7          6           0       -0.867880    1.247572    1.065930
      8          6           0       -0.529239   -1.889055   -1.090275
      9          8           0       -2.580268   -0.322725    0.294255
     10          6           0        2.280642   -0.533766   -0.190909
     11          6           0        0.806031   -1.067470    1.719398
     12          1           0        0.609760    0.209736   -2.403647
     13          1           0       -0.986507    0.874939   -2.124235
     14          1           0        0.019349    2.699916   -0.943059
     15          1           0        1.598811    1.987373   -1.206735
     16          1           0       -0.984333    1.058438    2.133454
     17          1           0       -1.413116    2.164495    0.837905
     18          1           0        1.274732    1.792071    1.266719
     19          1           0       -1.431450   -1.907859   -1.702944
     20          1           0       -0.672824   -2.608440   -0.282929
     21          1           0        0.309210   -2.221656   -1.704806
     22          1           0        2.441196   -0.030031   -1.141406
     23          1           0        2.414644   -1.604084   -0.357383
     24          1           0        3.068204   -0.208479    0.493063
     25          1           0       -0.176749   -1.018099    2.186698
     26          1           0        1.540309   -0.715601    2.447452
     27          1           0        1.016848   -2.120323    1.524992
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.564070   0.000000
     3  C    2.426008   1.558758   0.000000
     4  C    2.420697   2.459108   1.553293   0.000000
     5  C    1.557991   2.281796   2.416942   1.540717   0.000000
     6  C    2.378162   1.528377   2.417052   2.884067   2.382884
     7  C    2.415002   2.450496   2.891238   2.466397   1.536487
     8  C    2.651248   1.509240   2.590181   3.840595   3.747061
     9  O    3.492710   2.449040   3.307611   3.972091   3.562157
    10  C    1.528292   2.594675   2.967938   2.937188   2.584480
    11  C    1.531697   2.583855   3.839923   3.839387   2.590608
    12  H    2.881640   2.177662   1.090060   2.206068   3.182437
    13  H    3.371774   2.202660   1.090242   2.219058   3.174618
    14  H    3.376549   3.238516   2.212085   1.090032   2.188637
    15  H    2.858245   3.190508   2.199936   1.089081   2.191071
    16  H    2.869897   3.181277   3.905322   3.450272   2.211083
    17  H    3.380180   3.208406   3.224306   2.649541   2.216567
    18  H    2.244830   3.317078   3.404191   2.225131   1.089653
    19  H    3.568178   2.148092   2.861252   4.288723   4.410393
    20  H    2.921617   2.159862   3.533984   4.598837   4.165780
    21  H    2.958960   2.156874   2.844844   4.098178   4.185315
    22  H    2.202006   2.832188   2.619457   2.601995   2.846247
    23  H    2.166357   2.926503   3.545519   3.872600   3.524880
    24  H    2.160440   3.527635   3.861802   3.446949   2.876952
    25  H    2.205969   2.788802   4.148316   4.198435   2.881270
    26  H    2.168510   3.519088   4.572472   4.241490   2.864189
    27  H    2.167412   2.939492   4.301684   4.583844   3.529253
                    6          7          8          9         10
     6  C    0.000000
     7  C    1.531123   0.000000
     8  C    2.555359   3.821299   0.000000
     9  O    1.204119   2.448180   2.928657   0.000000
    10  C    3.799497   3.829621   3.246706   4.889618   0.000000
    11  C    2.903338   2.930600   3.217485   3.748693   2.471556
    12  H    3.377004   3.911328   2.725287   4.211706   2.870688
    13  H    2.571767   3.214044   2.986274   3.134257   4.049254
    14  H    3.246799   2.632967   4.623989   4.174364   4.016948
    15  H    3.888678   3.434658   4.423670   5.005420   2.802309
    16  H    2.154569   1.090385   4.391726   2.799513   4.312521
    17  H    2.170192   1.090883   4.574974   2.800725   4.688595
    18  H    3.366345   2.219816   4.728681   4.503229   2.923363
    19  H    2.796379   4.235684   1.090734   2.796647   4.237217
    20  H    2.840761   4.089779   1.090843   3.032487   3.610499
    21  H    3.497390   4.593263   1.091452   3.993904   3.004563
    22  H    4.134405   4.177869   3.504578   5.230860   1.087645
    23  H    4.250877   4.575230   3.047095   5.197659   1.091444
    24  H    4.523692   4.235684   4.274680   5.653124   1.092650
    25  H    2.536846   2.620505   3.409012   3.137163   3.453457
    26  H    3.771845   3.400298   4.263278   4.665808   2.746289
    27  H    3.521194   3.886599   3.046882   4.205391   2.656813
                   11         12         13         14         15
    11  C    0.000000
    12  H    4.320796   0.000000
    13  H    4.664725   1.751752   0.000000
    14  H    4.679823   2.946676   2.395300   0.000000
    15  H    4.303815   2.360257   2.960268   1.752696   0.000000
    16  H    2.810041   4.883310   4.261642   3.628603   4.323473
    17  H    4.018363   4.291942   3.258715   2.347438   3.644671
    18  H    2.932844   4.051859   4.177667   2.698757   2.502228
    19  H    4.174326   3.023530   2.849460   4.890177   4.959994
    20  H    2.927612   3.752943   3.952560   5.393841   5.209150
    21  H    3.647485   2.547622   3.382854   4.988602   4.430245
    22  H    3.454597   2.237163   3.678868   3.654763   2.187190
    23  H    2.681158   3.276392   4.564554   4.960330   3.779622
    24  H    2.712783   3.822274   4.946183   4.451598   3.141687
    25  H    1.089341   4.816372   4.777389   4.863894   4.868353
    26  H    1.092263   5.025468   5.460306   5.047241   4.545610
    27  H    1.091209   4.585750   5.128536   5.506449   4.967311
                   16         17         18         19         20
    16  H    0.000000
    17  H    1.756606   0.000000
    18  H    2.528403   2.747200   0.000000
    19  H    4.869988   4.800033   5.461850   0.000000
    20  H    4.402492   4.958347   5.055579   1.755782   0.000000
    21  H    5.211958   5.354447   5.086472   1.768720   1.770798
    22  H    4.862481   4.856886   3.237246   4.340386   4.133073
    23  H    4.984610   5.502967   3.933316   4.085982   3.247573
    24  H    4.551815   5.082534   2.795941   5.287459   4.511903
    25  H    2.228684   3.671069   3.293966   4.182734   2.978982
    26  H    3.101552   4.428128   2.784435   5.242005   3.991964
    27  H    3.805190   4.973578   3.929381   4.056954   2.522266
                   21         22         23         24         25
    21  H    0.000000
    22  H    3.109020   0.000000
    23  H    2.574839   1.758704   0.000000
    24  H    4.061472   1.759679   1.760146   0.000000
    25  H    4.102257   4.348125   3.678457   3.748814   0.000000
    26  H    4.585308   3.763178   3.069359   2.532049   1.762891
    27  H    3.307962   3.675291   2.400765   2.987990   1.754259
                   26         27
    26  H    0.000000
    27  H    1.760167   0.000000
 Stoichiometry    C10H16O
 Framework group  C1[X(C10H16O)]
 Deg. of freedom    75
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 3.73D-15
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.909392   -0.256340    0.424222
      2          6           0       -0.288665   -0.500024   -0.551274
      3          6           0       -0.053948    0.598961   -1.631490
      4          6           0        0.591339    1.776614   -0.850814
      5          6           0        0.596393    1.259663    0.600580
      6          6           0       -1.441722    0.068745    0.275102
      7          6           0       -0.867880    1.247572    1.065930
      8          6           0       -0.529238   -1.889055   -1.090275
      9          8           0       -2.580268   -0.322726    0.294255
     10          6           0        2.280642   -0.533765   -0.190909
     11          6           0        0.806031   -1.067470    1.719398
     12          1           0        0.609760    0.209736   -2.403647
     13          1           0       -0.986507    0.874939   -2.124235
     14          1           0        0.019348    2.699916   -0.943059
     15          1           0        1.598810    1.987374   -1.206735
     16          1           0       -0.984333    1.058438    2.133454
     17          1           0       -1.413117    2.164495    0.837905
     18          1           0        1.274731    1.792071    1.266719
     19          1           0       -1.431449   -1.907859   -1.702944
     20          1           0       -0.672823   -2.608440   -0.282929
     21          1           0        0.309211   -2.221656   -1.704806
     22          1           0        2.441196   -0.030030   -1.141406
     23          1           0        2.414644   -1.604083   -0.357383
     24          1           0        3.068204   -0.208478    0.493063
     25          1           0       -0.176749   -1.018099    2.186698
     26          1           0        1.540309   -0.715601    2.447452
     27          1           0        1.016849   -2.120323    1.524992
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.4525294           1.1850540           1.0991328
 Leave Link  202 at Fri Jul  9 21:22:28 2021, MaxMem= 17179869184 cpu:               0.2 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      12     13     14     15     16     17     18     19     20     21
 Centers:      22     23     24     25     26     27
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      8     10     11
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       9
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  33 primitive shells out of 436 were deleted.
 There are   419 symmetry adapted cartesian basis functions of A   symmetry.
 There are   397 symmetry adapted basis functions of A   symmetry.
   397 basis functions,   709 primitive gaussians,   419 cartesian basis functions
    42 alpha electrons       42 beta electrons
       nuclear repulsion energy       688.1944666599 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   27 NActive=   27 NUniq=   27 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0542507928 Hartrees.
 Nuclear repulsion after empirical dispersion term =      688.1402158671 Hartrees.
 Leave Link  301 at Fri Jul  9 21:22:29 2021, MaxMem= 17179869184 cpu:              15.5 elap:               1.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   397 RedAO= T EigKep=  3.36D-06  NBF=   397
 NBsUse=   397 1.00D-06 EigRej= -1.00D+00 NBFU=   397
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   419   419   419   419   419 MxSgAt=    27 MxSgA2=    27.
 Leave Link  302 at Fri Jul  9 21:22:30 2021, MaxMem= 17179869184 cpu:               5.4 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Fri Jul  9 21:22:30 2021, MaxMem= 17179869184 cpu:               1.1 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "17_camphor_STD_B3LYPDBJ-augccpVDZr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000   -0.000000    0.000000
         Rot=    1.000000   -0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Fri Jul  9 21:22:31 2021, MaxMem= 17179869184 cpu:               5.7 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot= 17179869184 LenX= 17179508935 LenY= 17179332933
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 990000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -466.024912399298    
 DIIS: error= 1.53D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -466.024912399298     IErMin= 1 ErrMin= 1.53D-03
 ErrMax= 1.53D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.03D-03 BMatP= 5.03D-03
 IDIUse=3 WtCom= 9.85D-01 WtEn= 1.53D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.219 Goal=   None    Shift=    0.000
 GapD=    0.219 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=3.14D-02 MaxDP=3.78D+00              OVMax= 1.55D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  2.80D-02    CP:  1.50D+00
 E= -466.028953314305     Delta-E=       -0.004040915007 Rises=F Damp=F
 DIIS: error= 3.72D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -466.028953314305     IErMin= 2 ErrMin= 3.72D-04
 ErrMax= 3.72D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.15D-05 BMatP= 5.03D-03
 IDIUse=3 WtCom= 9.96D-01 WtEn= 3.72D-03
 Coeff-Com:  0.156D-01 0.984D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.156D-01 0.984D+00
 Gap=     0.218 Goal=   None    Shift=    0.000
 RMSDP=1.07D-03 MaxDP=1.53D-01 DE=-4.04D-03 OVMax= 5.67D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  4.86D-04    CP:  1.51D+00  1.03D+00
 E= -466.028753987345     Delta-E=        0.000199326960 Rises=F Damp=F
 DIIS: error= 7.01D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -466.028953314305     IErMin= 2 ErrMin= 3.72D-04
 ErrMax= 7.01D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.49D-04 BMatP= 9.15D-05
 IDIUse=3 WtCom= 2.74D-01 WtEn= 7.26D-01
 Coeff-Com: -0.739D-02 0.670D+00 0.337D+00
 Coeff-En:   0.000D+00 0.745D+00 0.255D+00
 Coeff:     -0.203D-02 0.725D+00 0.277D+00
 Gap=     0.217 Goal=   None    Shift=    0.000
 RMSDP=1.11D-04 MaxDP=7.24D-03 DE= 1.99D-04 OVMax= 3.51D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  9.12D-05    CP:  1.51D+00  1.03D+00  9.32D-01
 E= -466.029022791825     Delta-E=       -0.000268804480 Rises=F Damp=F
 DIIS: error= 7.08D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -466.029022791825     IErMin= 4 ErrMin= 7.08D-05
 ErrMax= 7.08D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.44D-06 BMatP= 9.15D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.430D-02 0.248D+00 0.370D-01 0.719D+00
 Coeff:     -0.430D-02 0.248D+00 0.370D-01 0.719D+00
 Gap=     0.216 Goal=   None    Shift=    0.000
 RMSDP=4.81D-05 MaxDP=4.17D-03 DE=-2.69D-04 OVMax= 4.71D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  2.45D-05    CP:  1.51D+00  1.03D+00  9.43D-01  1.21D+00
 E= -466.029028193077     Delta-E=       -0.000005401252 Rises=F Damp=F
 DIIS: error= 1.62D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -466.029028193077     IErMin= 5 ErrMin= 1.62D-05
 ErrMax= 1.62D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.69D-07 BMatP= 6.44D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.846D-03 0.127D-01-0.273D-01 0.335D+00 0.680D+00
 Coeff:     -0.846D-03 0.127D-01-0.273D-01 0.335D+00 0.680D+00
 Gap=     0.216 Goal=   None    Shift=    0.000
 RMSDP=1.68D-05 MaxDP=1.90D-03 DE=-5.40D-06 OVMax= 8.66D-05

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.03D-05    CP:  1.51D+00  1.03D+00  9.63D-01  1.22D+00  8.24D-01
 E= -466.029028551894     Delta-E=       -0.000000358817 Rises=F Damp=F
 DIIS: error= 2.35D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -466.029028551894     IErMin= 6 ErrMin= 2.35D-06
 ErrMax= 2.35D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.49D-09 BMatP= 3.69D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.266D-03 0.645D-03-0.117D-01 0.125D+00 0.273D+00 0.613D+00
 Coeff:     -0.266D-03 0.645D-03-0.117D-01 0.125D+00 0.273D+00 0.613D+00
 Gap=     0.216 Goal=   None    Shift=    0.000
 RMSDP=2.10D-06 MaxDP=1.81D-04 DE=-3.59D-07 OVMax= 2.12D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.58D-06    CP:  1.51D+00  1.03D+00  9.65D-01  1.22D+00  8.50D-01
                    CP:  1.04D+00
 E= -466.029028557558     Delta-E=       -0.000000005664 Rises=F Damp=F
 DIIS: error= 1.03D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -466.029028557558     IErMin= 7 ErrMin= 1.03D-06
 ErrMax= 1.03D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.15D-09 BMatP= 6.49D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.186D-04-0.128D-02-0.192D-02 0.154D-01 0.364D-01 0.308D+00
 Coeff-Com:  0.644D+00
 Coeff:     -0.186D-04-0.128D-02-0.192D-02 0.154D-01 0.364D-01 0.308D+00
 Coeff:      0.644D+00
 Gap=     0.216 Goal=   None    Shift=    0.000
 RMSDP=7.45D-07 MaxDP=7.05D-05 DE=-5.66D-09 OVMax= 7.27D-06

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  4.77D-07    CP:  1.51D+00  1.03D+00  9.66D-01  1.22D+00  8.54D-01
                    CP:  1.07D+00  8.81D-01
 E= -466.029028558731     Delta-E=       -0.000000001173 Rises=F Damp=F
 DIIS: error= 1.40D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -466.029028558731     IErMin= 8 ErrMin= 1.40D-07
 ErrMax= 1.40D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.92D-11 BMatP= 1.15D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.582D-05-0.370D-03 0.208D-04-0.144D-02-0.262D-02 0.657D-01
 Coeff-Com:  0.194D+00 0.745D+00
 Coeff:      0.582D-05-0.370D-03 0.208D-04-0.144D-02-0.262D-02 0.657D-01
 Coeff:      0.194D+00 0.745D+00
 Gap=     0.216 Goal=   None    Shift=    0.000
 RMSDP=1.66D-07 MaxDP=2.16D-05 DE=-1.17D-09 OVMax= 9.28D-07

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.03D-07    CP:  1.51D+00  1.03D+00  9.66D-01  1.22D+00  8.55D-01
                    CP:  1.08D+00  8.96D-01  1.01D+00
 E= -466.029028558724     Delta-E=        0.000000000008 Rises=F Damp=F
 DIIS: error= 7.57D-08 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 8 EnMin= -466.029028558731     IErMin= 9 ErrMin= 7.57D-08
 ErrMax= 7.57D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.93D-12 BMatP= 1.92D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.389D-05-0.153D-03 0.731D-04-0.121D-02-0.239D-02 0.233D-01
 Coeff-Com:  0.764D-01 0.391D+00 0.513D+00
 Coeff:      0.389D-05-0.153D-03 0.731D-04-0.121D-02-0.239D-02 0.233D-01
 Coeff:      0.764D-01 0.391D+00 0.513D+00
 Gap=     0.216 Goal=   None    Shift=    0.000
 RMSDP=3.60D-08 MaxDP=2.28D-06 DE= 7.50D-12 OVMax= 3.48D-07

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  2.58D-08    CP:  1.51D+00  1.03D+00  9.66D-01  1.22D+00  8.55D-01
                    CP:  1.08D+00  9.00D-01  1.04D+00  9.10D-01
 E= -466.029028558787     Delta-E=       -0.000000000064 Rises=F Damp=F
 DIIS: error= 1.32D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -466.029028558787     IErMin=10 ErrMin= 1.32D-08
 ErrMax= 1.32D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.64D-13 BMatP= 3.93D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.105D-05-0.260D-04 0.367D-04-0.429D-03-0.884D-03 0.316D-02
 Coeff-Com:  0.128D-01 0.907D-01 0.208D+00 0.687D+00
 Coeff:      0.105D-05-0.260D-04 0.367D-04-0.429D-03-0.884D-03 0.316D-02
 Coeff:      0.128D-01 0.907D-01 0.208D+00 0.687D+00
 Gap=     0.216 Goal=   None    Shift=    0.000
 RMSDP=1.06D-08 MaxDP=7.30D-07 DE=-6.37D-11 OVMax= 1.05D-07

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  6.79D-09    CP:  1.51D+00  1.03D+00  9.66D-01  1.22D+00  8.55D-01
                    CP:  1.08D+00  9.02D-01  1.04D+00  9.30D-01  9.49D-01
 E= -466.029028558741     Delta-E=        0.000000000046 Rises=F Damp=F
 DIIS: error= 4.10D-09 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=10 EnMin= -466.029028558787     IErMin=11 ErrMin= 4.10D-09
 ErrMax= 4.10D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.74D-14 BMatP= 1.64D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.545D-07 0.326D-05 0.627D-05-0.411D-04-0.851D-04-0.947D-03
 Coeff-Com: -0.237D-02-0.303D-02 0.315D-01 0.292D+00 0.683D+00
 Coeff:      0.545D-07 0.326D-05 0.627D-05-0.411D-04-0.851D-04-0.947D-03
 Coeff:     -0.237D-02-0.303D-02 0.315D-01 0.292D+00 0.683D+00
 Gap=     0.216 Goal=   None    Shift=    0.000
 RMSDP=2.94D-09 MaxDP=3.01D-07 DE= 4.59D-11 OVMax= 4.21D-08

 SCF Done:  E(RB3LYP) =  -466.029028559     A.U. after   11 cycles
            NFock= 11  Conv=0.29D-08     -V/T= 2.0061
 KE= 4.632190575426D+02 PE=-2.457982849379D+03 EE= 8.405945474100D+02
 Leave Link  502 at Fri Jul  9 21:24:49 2021, MaxMem= 17179869184 cpu:            1656.0 elap:             138.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   397
 NBasis=   397 NAE=    42 NBE=    42 NFC=     0 NFV=     0
 NROrb=    397 NOA=    42 NOB=    42 NVA=   355 NVB=   355

 **** Warning!!: The largest alpha MO coefficient is  0.12477110D+03

 Leave Link  801 at Fri Jul  9 21:24:49 2021, MaxMem= 17179869184 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         8355 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=   17179869184 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          27
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 2.49D-13 8.33D-09 XBig12= 1.00D+00 1.98D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 2.49D-13 8.33D-09 XBig12= 2.65D-01 8.80D-02.
     11 vectors produced by pass  2 Test12= 2.49D-13 8.33D-09 XBig12= 6.67D-02 3.21D-02.
     11 vectors produced by pass  3 Test12= 2.49D-13 8.33D-09 XBig12= 1.22D-02 1.26D-02.
     11 vectors produced by pass  4 Test12= 2.49D-13 8.33D-09 XBig12= 1.70D-03 5.49D-03.
     11 vectors produced by pass  5 Test12= 2.49D-13 8.33D-09 XBig12= 6.94D-05 1.98D-03.
     11 vectors produced by pass  6 Test12= 2.49D-13 8.33D-09 XBig12= 1.29D-06 2.26D-04.
     11 vectors produced by pass  7 Test12= 2.49D-13 8.33D-09 XBig12= 3.45D-08 2.82D-05.
     11 vectors produced by pass  8 Test12= 2.49D-13 8.33D-09 XBig12= 6.29D-10 3.57D-06.
      8 vectors produced by pass  9 Test12= 2.49D-13 8.33D-09 XBig12= 6.02D-12 2.80D-07.
      1 vectors produced by pass 10 Test12= 2.49D-13 8.33D-09 XBig12= 6.60D-14 2.06D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 4.26D-14
 Solved reduced A of dimension   108 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.122475D+03
      2  0.978044D+00  0.117851D+03
      3 -0.345239D+00  0.170587D+01  0.114002D+03
 Isotropic polarizability for W=    0.085645      118.11 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1   0.273038D+02 -0.140725D+02  0.117566D+02
      2  -0.173924D+02  0.753202D+01 -0.876025D+01
      3  -0.991136D+01  0.654046D+01 -0.299635D+01
      4  -0.167275D+02  0.337400D+02 -0.182695D+02
      5   0.945390D+01 -0.185160D+02  0.440229D+02
      6  -0.112109D+02 -0.144234D+02 -0.377938D+01
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.148324D+00 -0.457714D+01  0.181769D+01
      2   0.208949D+01 -0.481580D+01  0.211907D+02
      3   0.534448D+01 -0.170458D+02  0.574117D+01
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1  -0.246447D+00 -0.566314D+01  0.103198D+02
      2   0.230270D+01 -0.705861D+01  0.539343D+02
      3  -0.265504D+01 -0.511324D+02  0.730506D+01
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1   0.401075D+00  0.201857D+00 -0.832443D+00
      2   0.201857D+00  0.103177D+01 -0.686006D+00
      3  -0.832443D+00 -0.686006D+00 -0.655797D+00
 OR G Eigenvalues:    -1.2320     0.4906     1.5184  Iso=    -0.2590
 Eigenvectors:
   (1)   0.419499   0.228796   0.878449
   (2)   0.784990  -0.577408  -0.224480
   (3)   0.455863   0.783742  -0.421825
 w=    0.085645 a.u., Optical Rotation Beta=     -0.2590 au.
 Molar Mass =    152.2358 grams/mole, [Alpha] ( 5320.0 A) =      -80.69 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   79003 ScalPx= 2.13D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   79003 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 8.69D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 4.14D-14 2.78D-09 XBig12= 1.00D+00 3.62D-01.
     30 vectors produced by pass  1 Test12= 4.14D-14 2.78D-09 XBig12= 1.98D-02 3.25D-02.
     30 vectors produced by pass  2 Test12= 4.14D-14 2.78D-09 XBig12= 8.52D-04 4.42D-03.
     30 vectors produced by pass  3 Test12= 4.14D-14 2.78D-09 XBig12= 4.73D-05 1.43D-03.
     30 vectors produced by pass  4 Test12= 4.14D-14 2.78D-09 XBig12= 4.19D-07 1.07D-04.
     30 vectors produced by pass  5 Test12= 4.14D-14 2.78D-09 XBig12= 2.69D-09 4.89D-06.
     30 vectors produced by pass  6 Test12= 4.14D-14 2.78D-09 XBig12= 9.51D-12 2.44D-07.
      9 vectors produced by pass  7 Test12= 4.14D-14 2.78D-09 XBig12= 2.47D-14 1.59D-08.
      3 vectors produced by pass  8 Test12= 4.14D-14 2.78D-09 XBig12= 2.85D-15 4.32D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.44D-15
 Solved reduced A of dimension   222 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   79003 ScalPx= 5.50D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   79003 ScalPx= 5.50D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   79003 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 6.33D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.122475D+03  0.978044D+00 -0.345239D+00
      2   0.978044D+00  0.117851D+03  0.170587D+01
      3  -0.345239D+00  0.170587D+01  0.114002D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.148324D+00 -0.457714D+01  0.181769D+01
      2   0.208949D+01 -0.481580D+01  0.211907D+02
      3   0.534448D+01 -0.170458D+02  0.574117D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.273038D+02 -0.140725D+02  0.117566D+02
      2  -0.173924D+02  0.753202D+01 -0.876025D+01
      3  -0.991136D+01  0.654046D+01 -0.299635D+01
      4  -0.167275D+02  0.337400D+02 -0.182695D+02
      5   0.945390D+01 -0.185160D+02  0.440229D+02
      6  -0.112109D+02 -0.144234D+02 -0.377938D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.188847D+01  0.171042D+01  0.625969D+01  0.980723D+00  0.273441D+01
      2   0.171042D+01  0.332409D+01  0.416188D+00  0.273441D+01 -0.642255D+01
      3   0.625969D+01  0.416188D+00  0.337849D+01  0.432886D-01 -0.175188D+01
                 6             7             8             9            10 
      1   0.432886D-01  0.765720D+01  0.740705D+00  0.222730D+01 -0.464687D+01
      2  -0.175188D+01  0.740705D+00 -0.157507D+01  0.456776D+01 -0.226589D+01
      3   0.341820D+01  0.222730D+01  0.456776D+01 -0.107982D+01 -0.480434D+01
                11            12            13            14            15 
      1  -0.226589D+01 -0.480434D+01 -0.288717D+01  0.918576D+00  0.204996D+01
      2   0.117471D+01  0.247990D+01  0.918576D+00  0.786042D+00  0.319794D+01
      3   0.247990D+01 -0.647739D+00  0.204996D+01  0.319794D+01 -0.420656D+01
                16            17            18            19            20 
      1  -0.501416D+01  0.219847D+01 -0.204579D+01  0.234453D+01 -0.439125D+00
      2   0.219847D+01  0.222774D+01 -0.307044D+01 -0.439125D+00 -0.153479D+01
      3  -0.204579D+01 -0.307044D+01 -0.238384D+01  0.448839D+01 -0.280639D+01
                21            22            23            24            25 
      1   0.448839D+01  0.699226D+00 -0.278314D+00 -0.381301D+01  0.271783D+01
      2  -0.280639D+01 -0.278314D+00  0.557604D+00 -0.234114D+01 -0.251316D+01
      3  -0.656169D+00 -0.381301D+01 -0.234114D+01  0.248899D+01 -0.253430D+00
                26            27            28            29            30 
      1  -0.251316D+01 -0.253430D+00 -0.396839D+01 -0.259678D+01  0.254015D+01
      2  -0.357434D+01  0.168459D+01 -0.259678D+01  0.412077D+01  0.902629D+00
      3   0.168459D+01  0.260161D+01  0.254015D+01  0.902629D+00 -0.236584D+00
                31            32            33            34            35 
      1  -0.881712D+00  0.313143D+01  0.101636D+01  0.189128D+01  0.103172D+01
      2   0.313143D+01 -0.365477D+01  0.211399D+01  0.103172D+01  0.151468D+01
      3   0.101636D+01  0.211399D+01  0.206519D+01 -0.106229D+00  0.158252D+01
                36            37            38            39            40 
      1  -0.106229D+00  0.805382D+00 -0.142518D+01 -0.436171D+01  0.368911D+00
      2   0.158252D+01 -0.142518D+01 -0.327767D+01 -0.157955D+01 -0.469808D+01
      3  -0.285338D+01 -0.436171D+01 -0.157955D+01 -0.177740D+01 -0.192242D+01
                41            42            43            44            45 
      1  -0.469808D+01 -0.192242D+01 -0.342317D+01 -0.168253D+01 -0.195664D+01
      2   0.547081D+01 -0.162997D+01 -0.168253D+01  0.492297D-01 -0.385432D+01
      3  -0.162997D+01 -0.253657D+01 -0.195664D+01 -0.385432D+01  0.197020D+01
                46            47            48            49            50 
      1   0.734444D+01  0.352521D+01  0.565444D+00  0.323634D+01 -0.127920D+01
      2   0.352521D+01 -0.490654D+01 -0.387938D+01 -0.127920D+01 -0.104359D+01
      3   0.565444D+00 -0.387938D+01 -0.326890D+01 -0.198661D+01 -0.114557D+01
                51            52            53            54            55 
      1  -0.198661D+01  0.636654D+00 -0.147113D+01 -0.119547D+00 -0.135038D+01
      2  -0.114557D+01 -0.147113D+01 -0.434729D+00  0.499691D+00 -0.118930D+01
      3   0.175871D+00 -0.119547D+00  0.499691D+00  0.222939D+01  0.125735D+01
                56            57            58            59            60 
      1  -0.118930D+01  0.125735D+01 -0.161994D+01  0.395919D+01  0.113982D+01
      2   0.502277D+01  0.162208D+01  0.395919D+01 -0.288274D+01  0.153825D+01
      3   0.162208D+01  0.160035D+01  0.113982D+01  0.153825D+01  0.211490D+01
                61            62            63            64            65 
      1   0.432728D+00 -0.462723D+00  0.131320D+01  0.170686D+01  0.225967D+01
      2  -0.462723D+00  0.201184D+01  0.797869D+00  0.225967D+01 -0.323526D+00
      3   0.131320D+01  0.797869D+00 -0.557753D+01  0.502489D+01 -0.135621D+01
                66            67            68            69            70 
      1   0.502489D+01  0.127850D+01 -0.853564D+00 -0.140542D+01  0.400465D+01
      2  -0.135621D+01 -0.853564D+00 -0.454137D+00 -0.314154D+01 -0.158500D+01
      3   0.939702D+00 -0.140542D+01 -0.314154D+01  0.241558D+01  0.884742D+00
                71            72            73            74            75 
      1  -0.158500D+01  0.884742D+00 -0.160290D+02 -0.318440D+01  0.103976D+01
      2  -0.323106D+01  0.326094D+01 -0.318440D+01 -0.375988D+00  0.129914D+01
      3   0.326094D+01  0.970392D+00  0.103976D+01  0.129914D+01 -0.243837D+00
                76            77            78            79            80 
      1  -0.339360D+01 -0.343377D+01  0.599002D+00  0.306146D+00  0.242600D+00
      2  -0.343377D+01 -0.181814D+01  0.780904D+00  0.242600D+00  0.108910D+00
      3   0.599002D+00  0.780904D+00 -0.203864D+00 -0.300670D+01 -0.861144D+00
                81            82            83            84            85 
      1  -0.300670D+01 -0.108656D+01 -0.189796D+01 -0.460703D+01 -0.252056D+01
      2  -0.861144D+00 -0.189796D+01 -0.138372D+01 -0.323456D+00 -0.251552D+01
      3  -0.120635D+00 -0.460703D+01 -0.323456D+00 -0.180432D+01 -0.427858D+00
                86            87            88            89            90 
      1  -0.251552D+01 -0.427858D+00 -0.575967D+01 -0.399536D+00 -0.252567D+01
      2   0.569559D+01  0.188556D+01 -0.399536D+00  0.168100D+01 -0.281127D+01
      3   0.188556D+01 -0.301167D+01 -0.252567D+01 -0.281127D+01  0.243896D+01
                91            92            93            94            95 
      1   0.188862D+01 -0.464310D+00 -0.519764D+01 -0.999108D+00 -0.186382D+01
      2  -0.464310D+00 -0.170834D+01 -0.564225D+00 -0.186382D+01  0.576032D+01
      3  -0.519764D+01 -0.564225D+00 -0.207924D+01 -0.925189D+00  0.116746D+01
                96            97            98            99           100 
      1  -0.925189D+00 -0.451815D+01 -0.885839D+00 -0.189851D+01  0.228055D+01
      2   0.116746D+01 -0.885839D+00  0.229582D+01 -0.307660D+01 -0.381978D+00
      3  -0.371725D+01 -0.189851D+01 -0.307660D+01 -0.246690D+00 -0.246629D+01
               101           102           103           104           105 
      1  -0.381978D+00 -0.246629D+01 -0.101478D+01  0.675755D+00  0.137492D+01
      2   0.113686D+01  0.696297D+00  0.675755D+00 -0.109058D+01 -0.103882D+01
      3   0.696297D+00  0.347721D+01  0.137492D+01 -0.103882D+01 -0.267924D+01
               106           107           108           109           110 
      1  -0.177380D+01  0.455662D+00  0.224650D+01 -0.451405D+01  0.106470D+01
      2   0.455662D+00 -0.770082D+00 -0.101381D+01  0.106470D+01 -0.132221D+01
      3   0.224650D+01 -0.101381D+01 -0.669387D+01 -0.366174D+01  0.135311D+01
               111           112           113           114           115 
      1  -0.366174D+01  0.848488D+00 -0.935403D+00  0.890249D+00 -0.201829D+01
      2   0.135311D+01 -0.935403D+00  0.972630D+00 -0.954737D+00  0.762879D+00
      3  -0.386701D+01  0.890249D+00 -0.954737D+00  0.827666D+00 -0.213175D+01
               116           117           118           119           120 
      1   0.762879D+00 -0.213175D+01 -0.937497D+00  0.211423D+01 -0.666205D+00
      2  -0.574406D+00  0.731070D+00  0.211423D+01 -0.402425D+01  0.784923D+00
      3   0.731070D+00 -0.391327D+01 -0.666205D+00  0.784923D+00 -0.842874D+00
               121           122           123           124           125 
      1   0.142031D+01 -0.193808D+01  0.265688D+00 -0.311975D+00  0.280406D-01
      2  -0.193808D+01  0.914119D+01 -0.184625D+01  0.280406D-01 -0.817323D+00
      3   0.265688D+00 -0.184625D+01  0.122794D+01 -0.391517D+00  0.107596D+01
               126           127           128           129           130 
      1  -0.391517D+00  0.661494D+01  0.291414D+01 -0.227317D+01  0.146513D+01
      2   0.107596D+01  0.291414D+01  0.246589D+01 -0.128921D+01  0.144061D+01
      3  -0.419700D+00 -0.227317D+01 -0.128921D+01  0.194895D+01 -0.711150D+00
               131           132           133           134           135 
      1   0.144061D+01 -0.711150D+00 -0.187191D+01 -0.934790D+00  0.154372D+01
      2   0.196991D+01 -0.877738D+00 -0.934790D+00 -0.104672D+01  0.771263D+00
      3  -0.877738D+00  0.377493D+00  0.154372D+01  0.771263D+00 -0.132418D+01
               136           137           138           139           140 
      1  -0.278092D+00  0.203156D+00  0.132459D+01 -0.344261D+00 -0.385854D+00
      2   0.203156D+00 -0.648860D+00 -0.464052D+00 -0.385854D+00  0.310868D+00
      3   0.132459D+01 -0.464052D+00 -0.143971D+01  0.211076D+00  0.803810D+00
               141           142           143           144           145 
      1   0.211076D+00  0.161970D+01 -0.216336D+00 -0.163585D+01 -0.289766D+01
      2   0.803810D+00 -0.216336D+00  0.137660D+01  0.109412D+01  0.285630D+01
      3  -0.100969D+01 -0.163585D+01  0.109412D+01  0.946278D+01  0.334265D+00
               146           147           148           149           150 
      1   0.285630D+01  0.334265D+00  0.286350D+01 -0.328107D+01 -0.498475D+00
      2  -0.378000D+01 -0.825184D+00 -0.328107D+01  0.751768D+01  0.525437D+00
      3  -0.825184D+00 -0.837039D+00 -0.498475D+00  0.525437D+00  0.948996D+00
               151           152           153           154           155 
      1  -0.843906D+00  0.664050D+00 -0.432274D+00  0.397600D+01  0.264177D+01
      2   0.664050D+00 -0.125489D+01  0.924571D+00  0.264177D+01  0.274878D+01
      3  -0.432274D+00  0.924571D+00  0.644944D+00  0.276204D+01  0.162121D+01
               156           157           158           159           160 
      1   0.276204D+01  0.148752D+01  0.228336D+01  0.990585D+00  0.253698D+01
      2   0.162121D+01  0.228336D+01  0.303053D+01  0.194544D+01  0.155315D+01
      3   0.244405D+01  0.990585D+00  0.194544D+01  0.185538D+01  0.241678D+01
               161           162           163           164           165 
      1   0.155315D+01  0.241678D+01 -0.501456D+01 -0.191952D+01 -0.346102D+01
      2   0.215750D+01  0.257803D+01 -0.191952D+01 -0.215909D+01 -0.129581D+01
      3   0.257803D+01  0.360811D+01 -0.346102D+01 -0.129581D+01 -0.320212D+01
               166           167           168           169           170 
      1  -0.511534D+00 -0.923335D+00 -0.154813D+00 -0.296647D+01 -0.830246D+00
      2  -0.923335D+00 -0.485882D+00 -0.407572D+00 -0.830246D+00 -0.920435D+00
      3  -0.154813D+00 -0.407572D+00 -0.317971D+00 -0.254534D+01 -0.162295D+01
               171           172           173           174           175 
      1  -0.254534D+01 -0.705340D+00 -0.118294D+01  0.575050D-02 -0.897131D+00
      2  -0.162295D+01 -0.118294D+01 -0.979549D+00  0.460050D+00 -0.878097D+00
      3  -0.349027D+01  0.575050D-02  0.460050D+00 -0.416716D+00  0.338390D+00
               176           177           178           179           180 
      1  -0.878097D+00  0.338390D+00  0.579889D+00  0.886411D+00 -0.329541D+00
      2  -0.574552D+01  0.209799D+01  0.886411D+00  0.434426D+01 -0.206821D+01
      3   0.209799D+01 -0.175129D+01 -0.329541D+00 -0.206821D+01  0.262645D+01
               181           182           183           184           185 
      1   0.293193D+01 -0.169014D+01 -0.223883D+01 -0.947299D+00  0.132249D+01
      2  -0.169014D+01  0.277550D+01  0.181345D+01  0.132249D+01 -0.198909D+01
      3  -0.223883D+01  0.181345D+01  0.245989D+01  0.853578D+00 -0.969567D+00
               186           187           188           189           190 
      1   0.853578D+00 -0.195482D+01  0.107888D+01  0.149767D+01  0.103407D+01
      2  -0.969567D+00  0.107888D+01 -0.168165D+01 -0.219916D+01  0.785985D+00
      3  -0.117559D+01  0.149767D+01 -0.219916D+01 -0.330280D+01 -0.941829D+00
               191           192           193           194           195 
      1   0.785985D+00 -0.941829D+00  0.162505D+01  0.452375D+00 -0.465144D+00
      2   0.295633D+00 -0.250843D+00  0.452375D+00  0.871544D+00 -0.138106D+01
      3  -0.250843D+00  0.127176D+01 -0.465144D+00 -0.138106D+01  0.186363D+01
               196           197           198           199           200 
      1  -0.206142D+01 -0.130737D+00  0.199853D+01  0.131496D+01 -0.120151D+01
      2  -0.130737D+00 -0.159276D+01  0.160149D+01 -0.120151D+01  0.114847D+01
      3   0.199853D+01  0.160149D+01 -0.502850D+01  0.213189D-01  0.247608D+00
               201           202           203           204           205 
      1   0.213189D-01 -0.291491D+01  0.299766D+01  0.609652D+00  0.880193D-01
      2   0.247608D+00  0.299766D+01 -0.744882D+01 -0.124143D+01  0.377152D+00
      3   0.362147D+00  0.609652D+00 -0.124143D+01 -0.102168D+01  0.777864D+00
               206           207           208           209           210 
      1   0.377152D+00  0.777864D+00  0.763105D+01  0.831672D+00  0.264887D+01
      2  -0.986388D+00 -0.826501D+00  0.831672D+00  0.939638D+00  0.230151D+00
      3  -0.826501D+00 -0.737897D+00  0.264887D+01  0.230151D+00  0.167314D+01
               211           212           213           214           215 
      1   0.257135D+01  0.149391D+01  0.755361D+00  0.540975D+01  0.375265D+00
      2   0.149391D+01  0.166508D+00  0.382781D+00  0.375265D+00  0.696633D+00
      3   0.755361D+00  0.382781D+00  0.893766D+00  0.267522D+01  0.595250D+00
               216           217           218           219           220 
      1   0.267522D+01 -0.450255D+01 -0.757922D-02  0.230461D+01  0.186501D+00
      2   0.595250D+00 -0.757922D-02 -0.124838D+01  0.955502D+00 -0.652333D+00
      3   0.214370D+01  0.230461D+01  0.955502D+00 -0.290210D+01  0.361674D+00
               221           222           223           224           225 
      1  -0.652333D+00  0.361674D+00  0.194873D+01  0.339317D+00 -0.154792D+01
      2  -0.542449D+00  0.317709D+00  0.339317D+00  0.355218D+00 -0.176331D+00
      3   0.317709D+00  0.266379D+00 -0.154792D+01 -0.176331D+00  0.280505D+01
               226           227           228           229           230 
      1   0.354995D+01  0.131745D+00  0.348836D+01  0.120005D+01  0.824213D+00
      2   0.131745D+00  0.104513D+01 -0.521645D-01  0.824213D+00  0.492098D-01
      3   0.348836D+01 -0.521645D-01  0.414009D+01  0.107600D+01  0.686958D+00
               231           232           233           234           235 
      1   0.107600D+01  0.258577D+01  0.117448D+00  0.310062D+01  0.619228D+00
      2   0.686958D+00  0.117448D+00  0.532061D+00  0.311557D+00 -0.119235D+01
      3   0.216909D+01  0.310062D+01  0.311557D+00  0.584838D+01  0.614298D+00
               236           237           238           239           240 
      1  -0.119235D+01  0.614298D+00 -0.129958D+01  0.168247D+01 -0.265503D+00
      2   0.147470D+01 -0.195762D+00  0.168247D+01 -0.872217D+01  0.128306D+01
      3  -0.195762D+00  0.525980D+00 -0.265503D+00  0.128306D+01 -0.147771D+01
               241           242           243 
      1   0.102421D+00  0.260259D+00  0.244555D+00
      2   0.260259D+00 -0.891645D+00 -0.495947D+00
      3   0.244555D+00 -0.495947D+00 -0.177577D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.181290D+01  0.129799D+01  0.202289D+01  0.250530D+01 -0.673650D+01
      2   0.105197D+02 -0.174630D+00  0.389653D+01  0.183372D+01 -0.485779D+01
      3   0.800560D+00 -0.733182D+01 -0.255764D+01  0.446712D+00  0.830784D+01
                 6             7             8             9            10 
      1  -0.343635D+01  0.476546D+01  0.382617D+01  0.223098D+01 -0.461128D+01
      2   0.318956D+01 -0.307913D+01  0.363766D+01 -0.315006D+01 -0.219888D+01
      3   0.332440D+01 -0.277035D+01  0.325764D+01 -0.402500D+01 -0.221397D+01
                11            12            13            14            15 
      1  -0.247582D+01  0.395144D+00  0.139368D+01  0.477148D+01 -0.121624D+02
      2  -0.389877D+01  0.843343D+00 -0.377874D+01 -0.242449D+00  0.173698D+01
      3  -0.232837D+01  0.484230D+01  0.779896D+01  0.374923D-01  0.110595D+01
                16            17            18            19            20 
      1  -0.603630D+01 -0.856851D+00 -0.223248D+01  0.481734D+01  0.476385D+01
      2  -0.688031D+01  0.437891D+01 -0.548521D+01  0.519327D+01 -0.127463D+01
      3   0.411294D+01  0.289014D+01 -0.262764D+00 -0.521834D+00 -0.462685D+01
                21            22            23            24            25 
      1   0.458787D+01 -0.775774D+00  0.224586D+01  0.652563D+01  0.518007D+01
      2   0.120313D+02 -0.801205D+00 -0.944681D+00 -0.859810D+01  0.399228D+01
      3   0.397352D+00  0.224299D+00 -0.110895D+00 -0.154409D+01  0.840505D+00
                26            27            28            29            30 
      1   0.110463D+02 -0.117728D+01 -0.576895D+01 -0.723240D+01 -0.121707D+01
      2  -0.826333D+01  0.712229D+00 -0.218812D+01 -0.204916D+01  0.522904D+01
      3  -0.194487D+01  0.615083D+00 -0.913543D+01 -0.133592D+02  0.658057D+01
                31            32            33            34            35 
      1  -0.633565D+01 -0.270332D+01 -0.116574D+02 -0.437162D+00 -0.597833D+01
      2  -0.342420D+00  0.527579D+01  0.341456D+01  0.745560D+00  0.254609D+01
      3  -0.367315D+01  0.128819D+02  0.527545D+00  0.549819D+01  0.185045D+01
                36            37            38            39            40 
      1   0.699372D+01  0.422283D+01  0.755158D+00  0.499138D+00  0.250032D+00
      2  -0.450717D+01 -0.623076D+01 -0.111466D+01  0.432879D+01 -0.138312D+01
      3  -0.175307D+01  0.579954D+01 -0.249949D+01 -0.426331D+01  0.618835D+01
                41            42            43            44            45 
      1   0.602480D+01  0.143612D+01 -0.857364D+00  0.915036D+01 -0.864955D+01
      2   0.213740D+01 -0.128582D+01 -0.247043D+01 -0.985095D+00  0.339677D+01
      3  -0.105881D+02 -0.164069D+01 -0.353877D+01 -0.194589D+01 -0.143468D+00
                46            47            48            49            50 
      1   0.353744D+01  0.149139D+01  0.463963D+01  0.402729D+01 -0.137754D+02
      2  -0.360231D+01  0.841694D+01 -0.108288D+01  0.687922D+01 -0.245755D+01
      3   0.613451D+00 -0.303745D-01 -0.804191D+01  0.500802D+01  0.133684D+01
                51            52            53            54            55 
      1  -0.209093D+01  0.123286D+01  0.108916D+02  0.140296D+02 -0.537301D+01
      2  -0.677638D+00 -0.101746D+02  0.155913D+01  0.536159D+01  0.294781D+01
      3  -0.310868D+01 -0.769892D+01 -0.303435D+01  0.269142D+00 -0.583431D+01
                56            57            58            59            60 
      1   0.645551D+01 -0.201365D+01  0.532538D+01 -0.589467D+01 -0.622718D+01
      2   0.715833D+00 -0.451905D+01  0.906949D+00 -0.750146D+01 -0.245553D+01
      3   0.422441D+01  0.570610D+01  0.691047D+01  0.219223D+01  0.150619D+01
                61            62            63            64            65 
      1  -0.977255D+00  0.521356D+01  0.128594D+02  0.710582D+01 -0.158886D+01
      2  -0.870110D+01 -0.596722D-01  0.780694D+01 -0.222681D+01  0.514373D+01
      3   0.395309D+01 -0.105454D+00  0.339625D+01 -0.211456D+01 -0.100183D+02
                66            67            68            69            70 
      1   0.400767D+01 -0.286270D+01 -0.764099D+01  0.849135D+01  0.338092D+01
      2   0.830234D+01  0.271260D+01  0.208551D+01 -0.414936D+01  0.271631D+01
      3  -0.137956D+02 -0.196926D+01  0.179793D+01  0.731696D+00 -0.109244D+02
                71            72            73            74            75 
      1   0.163577D+02 -0.237143D+01 -0.366786D+00 -0.447184D+00 -0.471334D+01
      2  -0.592876D+01  0.655968D+00  0.331955D+01  0.173395D+00  0.128381D+02
      3  -0.321149D+00  0.113899D+00 -0.344378D+01 -0.138727D+02  0.451178D+00
                76            77            78            79            80 
      1  -0.283365D+01  0.267746D+01 -0.135975D+01  0.971710D+00 -0.146792D+01
      2  -0.183778D+01  0.250176D+01  0.335095D+01  0.447633D+01  0.423220D+00
      3  -0.311511D+01 -0.725138D+01  0.467642D+00  0.791038D+00  0.813745D+00
                81            82            83            84            85 
      1  -0.510587D+01 -0.258819D+01 -0.501174D-03 -0.191394D+01 -0.123350D+00
      2  -0.165187D+01 -0.128904D+02 -0.605321D+00 -0.517349D+01 -0.207440D+01
      3  -0.263119D+01  0.596627D+01  0.424135D+01  0.337516D+01  0.132175D+02
                86            87            88            89            90 
      1   0.882567D+00 -0.479368D+01 -0.446101D+01 -0.665388D+00  0.336214D+01
      2   0.627533D+01 -0.858778D+01 -0.136736D+02 -0.750721D+01  0.928951D+01
      3  -0.161294D+02 -0.664083D+01  0.481670D+01 -0.596024D+01  0.104334D+02
                91            92            93            94            95 
      1  -0.919103D+01 -0.446596D+01 -0.368392D+01 -0.642899D+01  0.172346D+02
      2  -0.111444D+02 -0.721370D+00  0.137894D+02 -0.651588D-02  0.511793D+01
      3  -0.336608D+01 -0.226572D-01  0.954929D+01  0.466295D+01 -0.432302D+01
                96            97            98            99           100 
      1  -0.615377D+01 -0.410448D+01  0.308793D+01 -0.937318D+01  0.377334D+00
      2  -0.150493D+01  0.673846D+01 -0.203462D+01  0.324077D+01  0.680459D+01
      3   0.915602D-01  0.749482D+01 -0.177609D+01  0.544179D+01  0.105435D+01
               101           102           103           104           105 
      1  -0.492695D+01 -0.212329D+01 -0.353394D+00  0.390443D+01 -0.344849D+00
      2  -0.159099D+01 -0.339037D+01 -0.280205D+01  0.148650D+01  0.193234D+01
      3  -0.149090D+01 -0.989911D+00  0.730728D+00  0.260037D+00  0.155800D+00
               106           107           108           109           110 
      1  -0.150489D+01  0.529852D+01  0.300657D+01 -0.363539D+00  0.388779D+01
      2  -0.605107D+01  0.144430D+01  0.361156D+01 -0.112066D+02  0.157783D+01
      3  -0.301876D+00  0.149858D+01  0.710501D+00 -0.306308D+01 -0.188708D+01
               111           112           113           114           115 
      1  -0.340953D+00  0.105863D+01 -0.172405D+01 -0.419537D+00  0.174498D+00
      2  -0.446032D+01  0.247878D+01 -0.174574D+01  0.200848D+01 -0.549963D+01
      3  -0.171421D+01  0.156730D+01  0.195686D+00  0.654433D+00 -0.159293D+01
               116           117           118           119           120 
      1   0.182859D+01  0.463892D+00 -0.405606D+00  0.322718D+01  0.295340D+01
      2   0.157198D+01 -0.359527D+01 -0.199532D+01  0.241746D+01  0.216018D-01
      3  -0.603844D+00 -0.146680D+01 -0.501871D+01  0.660430D+01 -0.189571D+01
               121           122           123           124           125 
      1   0.194463D+01 -0.579419D+01 -0.448066D+01  0.896743D+00  0.217899D+00
      2   0.217533D+01 -0.359436D+01  0.437160D+00 -0.147196D+01  0.104100D+01
      3   0.791046D+01 -0.106312D+02  0.157521D+01 -0.967503D+00  0.722938D+00
               126           127           128           129           130 
      1  -0.591324D+00  0.304555D+01 -0.824900D+00 -0.481915D+01  0.262873D+00
      2  -0.218877D+00  0.654439D+01  0.152557D+01  0.177845D+01  0.892678D+00
      3  -0.186171D+01  0.153728D+02  0.151456D+01 -0.403965D+01  0.293978D+01
               131           132           133           134           135 
      1   0.541811D+00 -0.952295D+00 -0.271137D+01  0.131044D+01  0.189177D+01
      2   0.698424D+00  0.204893D+00 -0.225539D+01 -0.531673D+00 -0.250666D+00
      3   0.118594D+01 -0.115785D+01 -0.425775D+01 -0.823491D+00  0.313594D+01
               136           137           138           139           140 
      1  -0.139035D+01  0.371783D+00  0.265106D+01  0.299340D+00 -0.154322D+01
      2  -0.131664D+01  0.709759D+00  0.154210D+01  0.512190D+00 -0.193725D+00
      3   0.307466D+00 -0.209253D+01  0.705494D+00  0.711422D-02 -0.139937D+01
               141           142           143           144           145 
      1   0.385857D+01  0.285029D+01  0.131800D+01 -0.183627D+02  0.355904D+01
      2   0.235986D+01 -0.295062D+01 -0.121157D+01 -0.105575D+02  0.345925D+01
      3   0.957877D+00  0.255143D+01  0.194186D+01 -0.286670D+01 -0.110049D+01
               146           147           148           149           150 
      1  -0.691226D+01  0.798063D-01 -0.431281D+01  0.117939D+02 -0.225735D+01
      2  -0.364157D+01  0.226473D+01 -0.405844D+01  0.578340D+01 -0.983348D+00
      3  -0.248569D+01 -0.906770D+00  0.391491D+01  0.460843D+01 -0.452573D+00
               151           152           153           154           155 
      1   0.137635D+01 -0.333712D+01  0.486739D+00 -0.203613D+01  0.135987D+01
      2   0.944632D+00 -0.189093D+01  0.585912D+00 -0.210621D+01 -0.598047D+00
      3  -0.116183D+01 -0.120799D+01  0.278461D+00  0.542849D+01 -0.489959D+00
               156           157           158           159           160 
      1  -0.364937D+01 -0.424327D+00 -0.144349D+00 -0.394251D+01 -0.191005D+01
      2   0.185386D+01 -0.154952D+01 -0.293674D+00  0.138310D+01 -0.215845D+01
      3   0.294802D+01  0.310773D+01  0.625923D+00  0.575865D+00  0.392320D+01
               161           162           163           164           165 
      1   0.365539D+00 -0.400987D+01 -0.444081D+01  0.141358D+01 -0.587493D+01
      2   0.109552D+01  0.225789D+01 -0.548738D+01 -0.977850D+00  0.271252D+00
      3  -0.734058D+00  0.142598D+01  0.112538D+02 -0.216144D+00  0.669347D+01
               166           167           168           169           170 
      1   0.125291D+00 -0.119515D+00 -0.138810D+01 -0.448368D+01 -0.244002D+00
      2  -0.559817D+00 -0.104122D+01  0.311144D-01 -0.365770D+01 -0.931749D-01
      3   0.146580D+01  0.153818D+01  0.693286D+00  0.683789D+01  0.393765D+00
               171           172           173           174           175 
      1  -0.524518D+01  0.139844D+01  0.215425D+01 -0.122695D+01  0.201551D+01
      2  -0.359751D-01 -0.560192D+00 -0.177789D+01  0.111716D+01 -0.614475D+00
      3   0.486148D+01  0.826309D+00  0.861144D+00  0.120672D-01  0.368989D+01
               176           177           178           179           180 
      1   0.116111D+02 -0.993468D+01 -0.101778D+01 -0.914196D+01  0.114917D+02
      2  -0.288466D+01  0.220772D+01 -0.418688D+00  0.278160D+01 -0.341006D+01
      3  -0.224485D+01  0.811769D+00 -0.239917D+01  0.159431D+01 -0.122892D+01
               181           182           183           184           185 
      1  -0.265592D+01 -0.159504D+01  0.386760D+01  0.283548D+00  0.552971D+00
      2   0.740713D+01 -0.306005D+01 -0.284767D+01 -0.220616D+01  0.212592D+01
      3  -0.100576D+02  0.335855D+01  0.581769D+01  0.436119D+01 -0.321761D+01
               186           187           188           189           190 
      1  -0.285148D+01  0.183394D+01 -0.372661D+00 -0.404090D+01 -0.104691D+01
      2   0.136412D+01 -0.524223D+01  0.259384D+01  0.303572D+01 -0.213818D+01
      3  -0.247409D+01  0.601938D+01 -0.224690D+01 -0.450626D+01 -0.234748D+01
               191           192           193           194           195 
      1  -0.608088D+00  0.600280D+00 -0.186608D-01 -0.235176D+01  0.137643D+01
      2  -0.250264D+00  0.353605D+01  0.556852D+00 -0.457359D+01  0.678280D+01
      3  -0.171813D+01  0.141593D+01 -0.197944D+00 -0.446303D+01  0.503260D+01
               196           197           198           199           200 
      1   0.882608D+00  0.458730D+01 -0.380834D+01  0.300975D+00 -0.543467D+00
      2   0.945757D+00  0.611448D+01 -0.160816D+02  0.194321D+00  0.244462D+00
      3   0.635385D+00  0.655987D+01 -0.654269D+01  0.269829D+01 -0.341393D+01
               201           202           203           204           205 
      1   0.540875D+00  0.261865D-01  0.138672D+01 -0.341833D+01  0.344234D+00
      2   0.168326D+01  0.785541D+00 -0.356489D+01 -0.410704D+01  0.901101D+00
      3  -0.622117D+00 -0.251846D+01  0.208231D+02  0.334367D+01 -0.683496D+00
               206           207           208           209           210 
      1   0.740389D+00 -0.724918D+00  0.200633D+01  0.916241D+00  0.852921D+00
      2  -0.185523D+01 -0.217839D+01  0.824737D+01  0.144466D+01  0.851541D+01
      3   0.338602D+01  0.170891D+01 -0.693698D+01 -0.585478D+01 -0.274031D+01
               211           212           213           214           215 
      1   0.806240D+00  0.731579D+00 -0.266070D+00  0.223907D+01  0.169563D+01
      2   0.216183D+01  0.103890D+01  0.350808D+01  0.589783D+01  0.188225D+01
      3  -0.392973D+01 -0.189175D+01 -0.129208D+01 -0.414689D+01 -0.369755D+01
               216           217           218           219           220 
      1   0.852125D+00  0.454596D+01 -0.344560D+01 -0.230877D+01 -0.175244D+01
      2   0.762280D+01  0.156441D+02 -0.680127D+00 -0.514967D+01 -0.720943D+00
      3  -0.345899D+01  0.836258D+01 -0.188795D+01 -0.353744D+01  0.524527D+00
               221           222           223           224           225 
      1   0.386176D-01  0.221002D-01 -0.205100D+01  0.179730D+01  0.297471D+01
      2   0.213094D+01 -0.499010D+00 -0.760746D+01 -0.552824D+00  0.455299D+01
      3   0.126952D+01 -0.768263D+00 -0.338502D+01  0.266990D+00  0.231523D+01
               226           227           228           229           230 
      1   0.506129D+01  0.404165D+01  0.531990D+01  0.286270D+01  0.164121D+01
      2  -0.507325D+01 -0.875795D+00 -0.675099D+00 -0.204745D+01 -0.803813D+00
      3  -0.405645D+01 -0.319962D+01 -0.399052D+01 -0.135421D+01 -0.140272D+01
               231           232           233           234           235 
      1   0.301233D+01  0.437902D+01  0.410504D+01  0.813655D+01 -0.155274D+01
      2   0.601152D+00 -0.569802D+01 -0.159085D-01 -0.130613D-02 -0.914681D-01
      3  -0.176739D+01 -0.368480D+01 -0.192481D+01 -0.432872D+01  0.235756D+00
               236           237           238           239           240 
      1   0.293079D+01  0.867141D+00  0.321061D+01 -0.184652D+02 -0.358701D+01
      2   0.177556D+01  0.457641D+00  0.288735D+01 -0.195820D+01 -0.166431D+01
      3  -0.904332D+00 -0.255744D+00  0.332502D+01  0.708175D+01 -0.880564D+00
               241           242           243 
      1   0.535685D+00 -0.184747D+01 -0.223060D+01
      2  -0.611679D+00 -0.629577D+00 -0.835089D+00
      3   0.391182D-01  0.115037D+01  0.370259D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.112049D+02  0.440244D+01  0.154574D+02  0.575385D+01  0.791759D+01
      2  -0.699803D+00 -0.321334D+01 -0.989312D+01 -0.460920D+01 -0.129557D+01
      3   0.119047D+02 -0.118910D+01 -0.556429D+01 -0.114465D+01 -0.662202D+01
      4   0.524227D+00  0.485416D+01 -0.527622D+01  0.602803D+01 -0.125549D+02
      5   0.140824D+02 -0.108533D+01  0.885177D+01  0.876560D+00  0.519610D+00
      6  -0.795966D+01  0.241707D+01 -0.152297D+01  0.339143D+01 -0.499753D+01
                 6             7             8             9            10 
      1  -0.472558D+01  0.198767D+02 -0.298033D+01  0.105154D+02  0.947734D+00
      2  -0.380105D+01 -0.109221D+02 -0.206721D+01 -0.492915D+01 -0.798346D+00
      3   0.852663D+01 -0.895461D+01  0.504754D+01 -0.558624D+01 -0.149389D+00
      4  -0.393698D+00 -0.435913D+01  0.421527D+00  0.231702D+01  0.620504D+01
      5   0.626455D+01  0.105539D+02  0.557112D+01 -0.102952D+01 -0.203400D+01
      6  -0.405494D+01 -0.153780D+01 -0.442923D+01  0.357566D+01  0.688589D+01
                11            12            13            14            15 
      1   0.504061D+01  0.134134D+01  0.700248D+01 -0.680470D+00 -0.133693D+02
      2  -0.194492D+01  0.403705D+01  0.413450D+00  0.738133D+01 -0.367767D+01
      3  -0.309569D+01 -0.537839D+01 -0.741593D+01 -0.670086D+01  0.170469D+02
      4   0.212515D+01  0.270009D+01  0.487277D+00  0.165049D+01 -0.140239D+01
      5  -0.240082D+01  0.318564D+01 -0.244802D+01 -0.207074D+01 -0.448602D+01
      6  -0.156947D+01  0.123042D+01 -0.786492D+00  0.320304D+01 -0.373929D+01
                16            17            18            19            20 
      1  -0.154337D+02 -0.701819D+01 -0.285980D+01  0.684080D+01 -0.252940D+01
      2   0.630298D+01 -0.330673D+01  0.457224D+00  0.121031D+02 -0.115384D+02
      3   0.913074D+01  0.103249D+02  0.240257D+01 -0.189439D+02  0.140678D+02
      4   0.653465D+01 -0.432802D+01  0.247908D+01  0.404612D+01 -0.264046D+01
      5   0.165584D+01 -0.276481D+00  0.236226D+00 -0.957397D+01  0.317546D+01
      6   0.483865D-01  0.182309D+00  0.109774D+02  0.439834D+01 -0.719705D+00
                21            22            23            24            25 
      1  -0.907621D+01 -0.108370D+02 -0.597164D+01  0.139487D+02 -0.185622D+01
      2  -0.467110D+01 -0.717008D+01 -0.606411D+01  0.127277D+01 -0.592279D+01
      3   0.137473D+02  0.180070D+02  0.120358D+02 -0.152215D+02  0.777901D+01
      4   0.328846D+01 -0.239087D+01 -0.316688D+01 -0.198229D+01  0.142089D+01
      5  -0.213370D+02  0.579311D+01  0.251853D+01  0.115229D+02 -0.141513D+02
      6   0.100594D+02 -0.273260D+01 -0.437589D+01  0.638113D+01  0.762823D+01
                26            27            28            29            30 
      1   0.669750D+01  0.347663D+01 -0.504021D+01 -0.159217D+02  0.634347D+01
      2   0.103772D+01  0.123867D+02 -0.663433D+01  0.251782D+02  0.886269D+00
      3  -0.773522D+01 -0.158634D+02  0.116745D+02 -0.925652D+01 -0.722974D+01
      4  -0.189948D+01  0.382351D+01 -0.184199D+02 -0.124858D+02  0.126064D+02
      5   0.800240D+01  0.324439D+01  0.118004D+02  0.806317D+01 -0.276538D+01
      6   0.515092D+01 -0.502610D+01  0.153777D+02 -0.135521D+01 -0.525109D+01
                31            32            33            34            35 
      1  -0.975339D+01  0.157204D+02 -0.440503D-01  0.466775D+01  0.146240D+01
      2   0.170615D+02 -0.233024D+02  0.948420D+01  0.507901D+00  0.721053D+01
      3  -0.730812D+01  0.758201D+01 -0.944015D+01 -0.517565D+01 -0.867292D+01
      4  -0.366773D+01  0.123408D+02  0.185708D+01  0.100261D+02  0.310224D+01
      5   0.280868D+01 -0.343390D+01  0.184781D+00 -0.456476D+01  0.591065D+00
      6  -0.147255D+01  0.922567D+01  0.164867D+01 -0.312801D+01  0.276336D+01
                36            37            38            39            40 
      1  -0.797939D+01  0.348723D+00  0.311434D+01 -0.103000D+01  0.295688D+01
      2   0.591584D+01  0.187827D+01 -0.857662D+01 -0.308240D+01 -0.590890D+01
      3   0.206355D+01 -0.222699D+01  0.546228D+01  0.411240D+01  0.295202D+01
      4   0.275350D+01  0.190817D-01 -0.776737D+01 -0.120714D+02 -0.695903D+01
      5  -0.126883D+01 -0.622587D+01 -0.908216D+01 -0.997035D+01 -0.464945D+01
      6  -0.974041D+01 -0.130721D+02 -0.110831D+02 -0.327127D+01 -0.826851D+01
                41            42            43            44            45 
      1  -0.878442D+01 -0.605649D+00 -0.302539D+01 -0.103066D+01  0.275175D+01
      2   0.119889D+02 -0.109338D+01  0.816822D+00 -0.386883D+00 -0.815894D+01
      3  -0.320445D+01  0.169902D+01  0.220857D+01  0.141754D+01  0.540719D+01
      4  -0.300058D+01 -0.546976D+01 -0.883015D+01 -0.493770D+01 -0.120530D+02
      5  -0.568142D+01 -0.716732D+01 -0.795910D+01 -0.986465D+01 -0.613762D+01
      6   0.835688D+00 -0.851221D+01 -0.683330D+01 -0.118313D+02  0.228335D+01
                46            47            48            49            50 
      1  -0.535922D+02 -0.697321D+01  0.319255D+01 -0.186958D+02  0.182997D+01
      2   0.256208D+02 -0.192868D+01 -0.364521D+01  0.832538D+01 -0.371356D+01
      3   0.279714D+02  0.890188D+01  0.452661D+00  0.103704D+02  0.188359D+01
      4  -0.147155D+02 -0.646375D+01  0.356039D+01  0.585438D+00 -0.422863D+01
      5   0.504989D+01  0.566836D+01 -0.673496D+01  0.320132D+01  0.391903D+00
      6   0.103950D+01  0.201825D+00 -0.631690D+01  0.276042D+01 -0.538941D+01
                51            52            53            54            55 
      1   0.130232D+02  0.163375D+01  0.105978D+02  0.411048D+00  0.267095D+01
      2  -0.769694D+00  0.133868D+01 -0.602303D+01 -0.276303D+01 -0.719685D+01
      3  -0.122535D+02 -0.297243D+01 -0.457481D+01  0.235198D+01  0.452590D+01
      4   0.203378D+01 -0.766726D+00  0.346220D+01 -0.287048D+01  0.341272D+01
      5  -0.458297D+01  0.534603D+01 -0.101627D+01 -0.103872D+01 -0.124984D+01
      6  -0.301382D+01 -0.787991D+00  0.495513D+00 -0.632126D+01  0.384122D+01
                56            57            58            59            60 
      1  -0.712120D+01 -0.705621D+01  0.176455D+01 -0.242464D+01 -0.936114D+01
      2   0.170881D+02  0.188585D+01  0.986431D+01 -0.120244D+02 -0.105945D+00
      3  -0.996695D+01  0.517036D+01 -0.116289D+02  0.144491D+02  0.946708D+01
      4  -0.142622D+02  0.166749D-01 -0.858480D+01  0.181259D+02 -0.158364D+01
      5  -0.185791D+01 -0.651955D+00 -0.323934D-01  0.303727D+01 -0.514137D+00
      6   0.101951D+02  0.350733D+01  0.390401D+01  0.186611D+01  0.949952D+01
                61            62            63            64            65 
      1   0.206284D+01 -0.352356D+01  0.102868D+02  0.590008D+01 -0.598427D+01
      2  -0.597658D+01  0.868534D+01  0.167303D+02  0.412831D+01  0.282742D+01
      3   0.391374D+01 -0.516178D+01 -0.270171D+02 -0.100284D+02  0.315685D+01
      4   0.310853D+01 -0.405836D+01  0.644373D+01 -0.604353D+01 -0.972715D+01
      5   0.506557D+00  0.894422D+00  0.141341D+02 -0.961079D+01 -0.867289D+01
      6   0.179218D+01  0.617319D+01 -0.882450D+01 -0.217312D+02  0.799295D+01
                66            67            68            69            70 
      1  -0.100292D+02 -0.580972D+01 -0.149038D+01 -0.228711D+01 -0.843346D+01
      2   0.119475D+02  0.162579D+01 -0.498363D+01  0.182708D+02  0.109846D+02
      3  -0.191837D+01  0.418393D+01  0.647401D+01 -0.159836D+02 -0.255112D+01
      4  -0.195111D+02 -0.695872D+01  0.181691D+01  0.922679D+01 -0.171089D+02
      5  -0.186517D+02 -0.459979D+01  0.762769D+01  0.563243D+00 -0.155463D+02
      6  -0.743028D+00  0.776708D+01  0.143402D+02 -0.673484D+01 -0.325516D+00
                71            72            73            74            75 
      1  -0.590291D+01  0.377664D+01  0.108088D+03  0.136863D+02 -0.422554D+01
      2   0.218639D+02 -0.784792D+01 -0.523986D+02 -0.343549D+01  0.314722D+01
      3  -0.159610D+02  0.407128D+01 -0.556893D+02 -0.102508D+02  0.107831D+01
      4   0.101159D+02 -0.471153D+01  0.193921D+02  0.203415D+02 -0.231721D+01
      5  -0.955752D+00 -0.159352D+01 -0.827937D+01 -0.307772D+01  0.183223D+02
      6  -0.107378D+02 -0.713548D+01 -0.524979D+01 -0.223878D+01  0.407321D+01
                76            77            78            79            80 
      1   0.166797D+02  0.140897D+02 -0.302669D+01  0.161162D+01 -0.230018D+01
      2  -0.694875D+01 -0.204520D+01  0.167435D+01  0.197726D+01  0.921880D+00
      3  -0.973094D+01 -0.120445D+02  0.135235D+01 -0.358888D+01  0.137830D+01
      4   0.249511D+02  0.129173D+02 -0.315219D+01 -0.342592D+01 -0.181225D+01
      5  -0.498942D+01 -0.376590D+01  0.536475D+01  0.208851D+02  0.479318D+01
      6  -0.357790D+01 -0.225550D+01  0.512332D+01  0.272623D+01  0.388451D+01
                81            82            83            84            85 
      1   0.109206D+02 -0.422640D+01 -0.123200D+02 -0.264785D+02 -0.186850D+02
      2  -0.988887D+01  0.484739D+01  0.899545D+01  0.136968D+02  0.156515D+02
      3  -0.103170D+01 -0.620984D+00  0.332459D+01  0.127816D+02  0.303350D+01
      4   0.417313D+01 -0.113652D+02 -0.638337D+01  0.137897D+01 -0.111738D+02
      5  -0.462521D+01 -0.270061D+02 -0.956943D+00 -0.112523D+02 -0.464872D+01
      6  -0.103853D+01  0.468659D+01  0.104310D+01  0.917637D+00  0.164568D+01
                86            87            88            89            90 
      1  -0.155062D+01 -0.416331D+00 -0.331070D+02 -0.342304D+00 -0.148030D+02
      2  -0.101107D+02 -0.257087D+01  0.169346D+02 -0.317352D+01  0.115236D+02
      3   0.116613D+02  0.298720D+01  0.161724D+02  0.351582D+01  0.327939D+01
      4   0.281601D+02  0.749189D+01 -0.110291D+01  0.690343D+01 -0.100911D+02
      5   0.770024D+01 -0.129100D+02 -0.167817D+02 -0.118564D+02  0.953661D+01
      6  -0.606208D+01  0.159912D+01  0.983964D+00  0.169297D+01 -0.132335D+01
                91            92            93            94            95 
      1   0.118613D+02 -0.220909D+01 -0.933980D+01 -0.428374D+01  0.395932D+01
      2   0.114963D+02  0.861257D+01  0.146456D+02  0.119951D+02 -0.253474D+02
      3  -0.233576D+02 -0.640347D+01 -0.530584D+01 -0.771134D+01  0.213881D+02
      4  -0.573293D+01 -0.214624D+01  0.715420D+01 -0.270824D+01  0.153872D+02
      5  -0.444470D+01 -0.214477D+01 -0.239417D+02 -0.519902D+01 -0.311703D+01
      6   0.552145D+01 -0.272445D+01 -0.356709D+01 -0.439048D+01  0.125452D+02
                96            97            98            99           100 
      1   0.594968D+01 -0.834412D+01  0.723912D+01 -0.102971D+02 -0.200059D+01
      2   0.835885D+01  0.141508D+02  0.838415D+00  0.148705D+02 -0.962839D+01
      3  -0.143085D+02 -0.580672D+01 -0.807754D+01 -0.457341D+01  0.116290D+02
      4   0.160852D+01  0.615286D+01  0.434547D+01 -0.275904D+01 -0.127607D+01
      5  -0.108007D+02 -0.221835D+02 -0.724942D+01 -0.103190D+02 -0.104381D+02
      6   0.880623D+01 -0.137329D+01  0.101441D+02 -0.107436D+02 -0.168620D+00
               101           102           103           104           105 
      1  -0.336669D+00  0.778684D+01  0.296850D+01 -0.315382D+01 -0.840762D+01
      2   0.418884D+01  0.121171D+02  0.343246D+01 -0.161724D+01 -0.692242D+01
      3  -0.385217D+01 -0.199040D+02 -0.640096D+01  0.477106D+01  0.153300D+02
      4   0.215636D+01 -0.168165D+00  0.167063D+01 -0.113072D+01 -0.125660D+01
      5   0.225536D+01  0.156698D+02  0.281863D+01 -0.377292D+01 -0.482695D+01
      6  -0.446150D+01 -0.900282D+00 -0.257712D+01  0.507665D+01  0.646908D+01
               106           107           108           109           110 
      1   0.484898D+01 -0.242492D+01 -0.182574D+02  0.332462D+01  0.185153D+01
      2   0.795584D+01 -0.362029D+01 -0.229627D+02 -0.124454D+02  0.136743D+01
      3  -0.128048D+02  0.604521D+01  0.412201D+02  0.912080D+01 -0.321896D+01
      4  -0.138963D+00 -0.134290D+01 -0.120224D+01 -0.922613D+01  0.563455D+01
      5   0.118670D+02 -0.340144D+01 -0.147555D+02  0.227657D+02 -0.533748D+01
      6  -0.958914D+00  0.556402D+01  0.125903D+01 -0.771816D+01  0.736311D+01
               111           112           113           114           115 
      1  -0.258367D+01  0.150936D+01 -0.170276D+01  0.219006D+01 -0.197837D+01
      2  -0.107982D+02  0.121965D+01  0.142300D+01  0.122083D+00 -0.652502D+01
      3   0.133819D+02 -0.272901D+01  0.279761D+00 -0.231214D+01  0.850339D+01
      4  -0.720178D+01  0.612247D+01 -0.263135D+01  0.374007D+01 -0.423199D+01
      5   0.211300D+02 -0.463827D+01  0.424595D+01 -0.493674D+01  0.136380D+02
      6  -0.938613D+01  0.559173D+01 -0.569912D+01  0.775418D+01 -0.607269D+01
               116           117           118           119           120 
      1   0.169846D+01 -0.717966D+01 -0.293011D+01  0.122126D+02 -0.389985D+01
      2   0.317581D+00 -0.123201D+02  0.900542D+01 -0.220070D+02  0.288910D+01
      3  -0.201604D+01  0.194998D+02 -0.607531D+01  0.979434D+01  0.101074D+01
      4   0.203117D+01 -0.518832D+01 -0.546625D+01  0.120261D+02 -0.326984D+01
      5  -0.421924D+01  0.140829D+02  0.119656D+01 -0.394441D+01  0.233533D+01
      6   0.513863D+01 -0.816070D+01 -0.553817D+01  0.894699D+01 -0.503981D+01
               121           122           123           124           125 
      1   0.696309D+01 -0.315918D+02  0.653494D+01 -0.134480D+01  0.384732D+01
      2  -0.115438D+02  0.571655D+02 -0.878566D+01  0.141803D+00 -0.334946D+01
      3   0.458074D+01 -0.255736D+02  0.225072D+01  0.120300D+01 -0.497857D+00
      4   0.893095D+01 -0.785904D+01  0.692261D+00 -0.160169D+01  0.445767D+00
      5  -0.298736D+01  0.250092D+01 -0.641475D+00  0.208692D+01 -0.789049D+00
      6   0.363166D+01 -0.212425D+02  0.109641D+02 -0.252854D+01  0.106708D+02
               126           127           128           129           130 
      1  -0.511556D+01  0.179295D+02  0.308762D+01 -0.196343D+01  0.133566D+01
      2   0.493467D+01 -0.247608D+01  0.506362D+01  0.504383D+00  0.326466D+01
      3   0.180885D+00 -0.154534D+02 -0.815124D+01  0.145905D+01 -0.460032D+01
      4  -0.226699D+01  0.309526D+02  0.200183D+02 -0.115019D+02  0.123099D+02
      5   0.994103D+00 -0.186591D+02 -0.913672D+01  0.104104D+02 -0.426002D+01
      6  -0.358914D+01 -0.142411D+02 -0.996936D+01  0.108074D+02 -0.556123D+01
               131           132           133           134           135 
      1  -0.137168D+01  0.731422D+00 -0.203714D+01  0.930405D+00  0.837068D+00
      2   0.879930D+01 -0.322985D+01  0.190093D+01 -0.242368D+01 -0.311667D+01
      3  -0.742762D+01  0.249843D+01  0.136212D+00  0.149328D+01  0.227960D+01
      4   0.936973D+01 -0.465559D+01 -0.881899D+01 -0.564018D+01  0.716573D+01
      5  -0.430106D+01  0.278008D+01  0.107043D+02  0.484717D+01 -0.716296D+01
      6  -0.763206D+01  0.461894D+01  0.847852D+01  0.694339D+01 -0.721758D+01
               136           137           138           139           140 
      1  -0.101974D+01  0.112104D+01  0.229674D-02  0.193578D+01 -0.334993D+01
      2  -0.408211D+01 -0.108384D+01  0.468649D+01 -0.299820D+01  0.115716D+01
      3   0.510185D+01 -0.372070D-01 -0.468879D+01  0.106242D+01  0.219278D+01
      4  -0.149617D+01  0.439726D+01  0.388145D+01  0.120638D+01 -0.247546D+01
      5  -0.542320D+01  0.166815D+01  0.110766D+02 -0.223856D+01 -0.209829D+01
      6   0.223228D+01 -0.251450D+01 -0.285992D+01 -0.125763D+01  0.192230D+01
               141           142           143           144           145 
      1   0.106520D+00 -0.746341D+00 -0.546720D+01 -0.242090D+02  0.609719D+01
      2   0.614475D+01  0.555987D+01  0.537562D+00 -0.230508D+02  0.580807D+01
      3  -0.625127D+01 -0.481353D+01  0.492964D+01  0.472598D+02 -0.119053D+02
      4  -0.127938D+01  0.385445D+01 -0.305360D+01 -0.733029D+01 -0.176031D+02
      5   0.354473D+01  0.950991D+01 -0.341248D+01 -0.216957D+02 -0.441710D+01
      6   0.480708D+01 -0.443385D+01  0.875835D+01  0.216554D+02  0.423593D+01
               146           147           148           149           150 
      1  -0.457764D-01  0.143057D+01  0.370266D+00 -0.128920D+02 -0.196317D+01
      2  -0.115831D+02 -0.158642D+01 -0.114144D+02  0.354727D+02  0.172041D+01
      3   0.116289D+02  0.155854D+00  0.110441D+02 -0.225807D+02  0.242765D+00
      4   0.224060D+02  0.382479D+01  0.181429D+02 -0.293451D+02 -0.299118D+01
      5   0.618519D+01  0.415116D+01  0.435580D+01 -0.452395D+01 -0.318668D+01
      6  -0.730796D+01 -0.428528D+01 -0.606463D+01  0.123947D+02  0.657374D+01
               151           152           153           154           155 
      1   0.254301D+01 -0.389463D+00 -0.375617D+01  0.594788D+01 -0.247669D+00
      2   0.103115D+01 -0.575889D+01  0.151645D+01 -0.450312D+00  0.541931D+01
      3  -0.357416D+01  0.614835D+01  0.223973D+01 -0.549756D+01 -0.517164D+01
      4  -0.374524D+01  0.461917D+01 -0.418469D+01  0.168744D+02  0.159720D+02
      5   0.144675D+01 -0.267949D+01 -0.151199D+01  0.146513D+02  0.922316D+01
      6  -0.238623D+01  0.482957D+01  0.237514D+01  0.115383D+02  0.997349D+01
               156           157           158           159           160 
      1   0.126411D+01 -0.184550D+01 -0.528524D+01 -0.358749D+01  0.500069D+00
      2  -0.110372D+01  0.586454D+01  0.113825D+02  0.481154D+01 -0.152782D+01
      3  -0.160391D+00 -0.401904D+01 -0.609728D+01 -0.122405D+01  0.102775D+01
      4   0.114513D+02  0.126042D+02  0.132921D+02  0.829383D+01  0.100280D+02
      5   0.126893D+02  0.590141D+01  0.791015D+01  0.578730D+01  0.123534D+02
      6   0.995885D+01  0.819285D+01  0.119412D+02  0.124041D+02  0.996401D+01
               161           162           163           164           165 
      1  -0.427927D+01 -0.550915D+01  0.909481D+01 -0.171313D+01  0.163622D+01
      2   0.333112D+01 -0.302901D+00 -0.935286D+01  0.481879D+01 -0.800696D+01
      3   0.948145D+00  0.581205D+01  0.258045D+00 -0.310566D+01  0.637074D+01
      4   0.928832D+01  0.111174D+02  0.211902D+02  0.129922D+02  0.148929D+02
      5   0.849186D+01  0.138241D+02  0.217688D+02  0.825619D+01  0.188556D+02
      6   0.147030D+02  0.165001D+02  0.148619D+02  0.920815D+01  0.136360D+02
               166           167           168           169           170 
      1  -0.763767D+00 -0.764851D+00 -0.110822D+01  0.195859D+01 -0.246463D+01
      2   0.332949D+01  0.272206D+01  0.154731D+01 -0.759147D+01  0.292551D-01
      3  -0.256573D+01 -0.195721D+01 -0.439094D+00  0.563288D+01  0.243538D+01
      4   0.666042D+01  0.509445D+01  0.310702D+01  0.125924D+02  0.522173D+01
      5   0.207360D+01  0.348333D+01  0.118947D+01  0.160805D+02  0.515786D+01
      6   0.397699D+01  0.302569D+01  0.545966D+01  0.102814D+02  0.105355D+02
               171           172           173           174           175 
      1  -0.404092D+01 -0.698573D+00  0.166151D+00  0.577836D+00 -0.527493D+00
      2  -0.646215D+01  0.335137D+01  0.450409D+01 -0.292924D+01  0.491763D+01
      3   0.105031D+02 -0.265280D+01 -0.467024D+01  0.235141D+01 -0.439014D+01
      4   0.103433D+02  0.465750D+01  0.902079D+01 -0.130033D+01  0.784218D+01
      5   0.154670D+02  0.547635D+00  0.380380D+00  0.386711D+01  0.420675D+00
      6   0.147480D+02  0.422915D+00 -0.161427D+01  0.165565D+01 -0.146064D+01
               176           177           178           179           180 
      1  -0.145483D+02  0.410929D+01  0.481653D+00  0.929065D+01 -0.386997D+01
      2   0.364920D+02 -0.138286D+02 -0.406090D+01 -0.238475D+02  0.101603D+02
      3  -0.219437D+02  0.971929D+01  0.357925D+01  0.145569D+02 -0.629028D+01
      4   0.999251D+01 -0.409552D+01 -0.429347D+01 -0.810207D+01  0.375731D+01
      5  -0.239667D+01  0.178253D+01  0.240581D+01  0.243025D+01 -0.275532D+01
      6  -0.632865D+01  0.963685D+01  0.123648D+01  0.879173D+01 -0.120460D+02
               181           182           183           184           185 
      1  -0.333723D+01  0.989595D+01  0.949679D+01  0.481414D+01 -0.883421D+01
      2   0.523713D+00 -0.105127D+02 -0.245967D+01 -0.536807D+01  0.109895D+02
      3   0.281352D+01  0.616778D+00 -0.703712D+01  0.553932D+00 -0.215530D+01
      4  -0.138767D+02  0.923712D+01  0.102594D+02  0.663160D+01 -0.694985D+01
      5  -0.960045D+01  0.591980D+01  0.916581D+01  0.296125D+01 -0.473593D+01
      6   0.118077D+02 -0.136670D+02 -0.139621D+02 -0.714331D+01  0.995859D+01
               186           187           188           189           190 
      1  -0.620787D+01  0.626097D+01 -0.894661D+01 -0.123650D+02  0.670248D+01
      2   0.394522D+01 -0.163247D+01  0.426911D+01  0.111511D+01 -0.563972D+01
      3   0.226265D+01 -0.462851D+01  0.467749D+01  0.112499D+02 -0.106276D+01
      4  -0.536132D+01  0.917404D+01 -0.576386D+01 -0.636577D+01  0.333662D+01
      5  -0.267838D+01  0.836534D+01 -0.323866D+01 -0.600662D+01 -0.548079D+01
      6   0.108809D+02 -0.835962D+01  0.151952D+02  0.179939D+02 -0.107121D+01
               191           192           193           194           195 
      1   0.407117D+01 -0.383185D+01  0.929822D+01 -0.245929D-01 -0.146132D+01
      2  -0.278218D+01  0.458147D+01 -0.606160D+01  0.853489D+00  0.286059D+01
      3  -0.128899D+01 -0.749621D+00 -0.323662D+01 -0.828896D+00 -0.139927D+01
      4   0.302814D+01 -0.221173D+01  0.370635D+01  0.327122D+01 -0.608138D+01
      5  -0.315746D+01  0.109364D+02 -0.399898D+01 -0.598803D+01  0.944387D+01
      6  -0.592168D+00 -0.802546D-01 -0.357949D+00 -0.154433D+01  0.211170D+01
               196           197           198           199           200 
      1  -0.979927D+01 -0.498628D-01  0.504140D+01  0.689043D+01 -0.508519D+01
      2   0.774261D+01  0.259078D+01 -0.126324D+02 -0.468312D+00  0.868979D-01
      3   0.205666D+01 -0.254091D+01  0.759099D+01 -0.642212D+01  0.499829D+01
      4  -0.638365D+00 -0.774155D+01  0.660882D+01 -0.774401D+01  0.118252D+02
      5   0.151902D+02  0.768678D+01 -0.257773D+02  0.338903D+00  0.263696D+01
      6  -0.111166D+01  0.291916D+01  0.101990D+01  0.139320D+01 -0.128076D+01
               201           202           203           204           205 
      1   0.835558D+00 -0.101096D+02 -0.224542D+01  0.494201D+00  0.142715D+01
      2  -0.731706D+00 -0.195257D+01  0.206052D+02  0.174551D+01 -0.104648D+01
      3  -0.103852D+00  0.120622D+02 -0.183598D+02 -0.223971D+01 -0.380670D+00
      4   0.227735D+01  0.212817D+02 -0.389897D+02 -0.616318D+01  0.298338D+01
      5   0.337587D+01  0.419944D+01 -0.559094D+01 -0.570052D+01  0.586786D+01
      6  -0.991715D+00 -0.256773D+01  0.729190D+01  0.630731D+01 -0.237047D+01
               206           207           208           209           210 
      1  -0.175128D+00  0.917075D+00  0.523628D+02  0.621721D+01  0.167021D+02
      2   0.167003D+01  0.294835D+00 -0.284059D+02 -0.372415D+01 -0.982581D+01
      3  -0.149490D+01 -0.121191D+01 -0.239569D+02 -0.249306D+01 -0.687630D+01
      4  -0.522838D+01 -0.402304D+01  0.272745D+01  0.787840D+01  0.106866D+01
      5  -0.424545D+01 -0.365224D+01  0.196600D+02  0.220570D+01  0.142102D+02
      6   0.608979D+01  0.245144D+01 -0.198357D+01  0.501085D+00 -0.148561D+01
               211           212           213           214           215 
      1   0.152131D+02  0.605426D+01  0.380435D+01  0.305564D+02  0.243121D+01
      2  -0.874093D+01 -0.146978D+01 -0.204411D+01 -0.178130D+02 -0.145124D+01
      3  -0.647217D+01 -0.458448D+01 -0.176024D+01 -0.127434D+02 -0.979971D+00
      4   0.106295D+02  0.198366D+01  0.312116D+01  0.911812D+00  0.541085D+01
      5   0.580217D+01  0.308702D+01  0.588900D+01  0.210367D+02  0.343319D+01
      6   0.110516D+01  0.146236D+01  0.165258D+01 -0.132524D+01  0.171802D+01
               216           217           218           219           220 
      1   0.128615D+02 -0.557608D+01 -0.413893D+01  0.114009D+02 -0.851146D+00
      2  -0.109495D+02 -0.445617D+01  0.113794D+01  0.357436D+01 -0.596083D+00
      3  -0.191194D+01  0.100323D+02  0.300099D+01 -0.149753D+02  0.144723D+01
      4   0.254412D+01  0.953900D+01  0.227700D+01 -0.531204D+01  0.248692D+01
      5   0.154928D+02 -0.158752D+02 -0.327914D+00  0.102559D+02  0.339781D+00
      6  -0.119466D+01 -0.383147D+01 -0.678333D+01  0.885758D+01 -0.335344D+01
               221           222           223           224           225 
      1  -0.246347D+01  0.537921D+00  0.702029D+01  0.131442D+01 -0.891087D+01
      2   0.344576D+01 -0.231251D+01  0.221577D+01 -0.605653D+00 -0.765687D+01
      3  -0.982292D+00  0.177459D+01 -0.923606D+01 -0.708770D+00  0.165677D+02
      4  -0.123098D+00 -0.102035D+01 -0.466948D+01 -0.141124D+01  0.370360D+01
      5  -0.222447D+01  0.247414D+01  0.107620D+02  0.140508D+01 -0.603367D+01
      6  -0.235352D+01  0.267106D+01  0.408646D+01  0.344528D+01 -0.556789D+01
               226           227           228           229           230 
      1   0.813222D+01  0.179696D+01  0.161149D+01  0.291958D+01 -0.570202D+00
      2  -0.172756D+02 -0.321199D+01 -0.180927D+02 -0.659853D+01 -0.304306D+00
      3   0.914340D+01  0.141503D+01  0.164812D+02  0.367895D+01  0.874508D+00
      4  -0.407771D+01  0.405664D+01 -0.464488D+01  0.248130D+01  0.102000D+00
      5   0.235053D+02  0.725917D+00  0.259760D+02  0.743279D+01  0.477986D+01
      6  -0.230112D+01  0.541065D+01 -0.378440D+01  0.375225D+01  0.134639D+01
               231           232           233           234           235 
      1  -0.143602D+01  0.128923D+01  0.135421D+00 -0.724076D+01 -0.213450D+00
      2  -0.835789D+01 -0.144819D+02 -0.229781D+01 -0.244184D+02  0.199604D+01
      3   0.979391D+01  0.131926D+02  0.216239D+01  0.316591D+02 -0.178259D+01
      4   0.213372D+01 -0.399299D+01  0.200406D+01 -0.293314D+01 -0.485587D+01
      5   0.872183D+01  0.207660D+02  0.144492D+01  0.269098D+02  0.260647D+01
      6   0.409411D+01 -0.229713D+01  0.501070D+01 -0.484023D+01 -0.337670D+01
               236           237           238           239           240 
      1  -0.733643D+00 -0.256360D-01  0.249644D-01 -0.184382D+02  0.543998D+01
      2  -0.439826D+01 -0.154293D+01 -0.575031D+01  0.395348D+02 -0.218422D+01
      3   0.513191D+01  0.156857D+01  0.572534D+01 -0.210966D+02 -0.325576D+01
      4   0.948069D+01 -0.186866D+01  0.101589D+02 -0.200710D+02  0.323711D+01
      5  -0.347536D+01  0.484214D+01 -0.429520D+01  0.589876D+01 -0.308121D+01
      6   0.462812D+01 -0.125575D+01  0.550770D+01 -0.268492D+02  0.105937D+02
               241           242           243 
      1  -0.402995D+00  0.513226D+00 -0.140344D+01
      2  -0.183095D+01  0.387146D+01  0.155357D+01
      3   0.223395D+01 -0.438469D+01 -0.150122D+00
      4   0.937941D+00 -0.205223D+01 -0.125057D+01
      5   0.263329D+01 -0.566422D+00  0.109652D+01
      6  -0.417615D+00  0.404938D+01 -0.363864D+00
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Fri Jul  9 21:53:29 2021, MaxMem= 17179869184 cpu:           20580.2 elap:            1719.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.13942 -10.26752 -10.20261 -10.19656 -10.19360
 Alpha  occ. eigenvalues --  -10.19013 -10.18798 -10.18618 -10.17955 -10.17935
 Alpha  occ. eigenvalues --  -10.17452  -1.05107  -0.89553  -0.77781  -0.77143
 Alpha  occ. eigenvalues --   -0.74513  -0.69106  -0.67404  -0.64681  -0.59140
 Alpha  occ. eigenvalues --   -0.54587  -0.50646  -0.49205  -0.49026  -0.47320
 Alpha  occ. eigenvalues --   -0.45148  -0.42878  -0.41947  -0.41270  -0.40531
 Alpha  occ. eigenvalues --   -0.40184  -0.39200  -0.38696  -0.37950  -0.36550
 Alpha  occ. eigenvalues --   -0.35259  -0.34908  -0.33962  -0.32836  -0.31888
 Alpha  occ. eigenvalues --   -0.30325  -0.24115
 Alpha virt. eigenvalues --   -0.02466  -0.01288  -0.00109   0.00082   0.00578
 Alpha virt. eigenvalues --    0.02273   0.02398   0.02524   0.02593   0.03295
 Alpha virt. eigenvalues --    0.04845   0.05073   0.05462   0.05637   0.05730
 Alpha virt. eigenvalues --    0.06160   0.06679   0.07014   0.08135   0.08609
 Alpha virt. eigenvalues --    0.08850   0.09009   0.09376   0.09891   0.10183
 Alpha virt. eigenvalues --    0.10487   0.10608   0.10937   0.11180   0.11276
 Alpha virt. eigenvalues --    0.11531   0.11782   0.12039   0.12397   0.12614
 Alpha virt. eigenvalues --    0.12832   0.13381   0.13931   0.14308   0.14661
 Alpha virt. eigenvalues --    0.15162   0.15619   0.15857   0.16398   0.16775
 Alpha virt. eigenvalues --    0.17226   0.17419   0.18059   0.18170   0.18692
 Alpha virt. eigenvalues --    0.19161   0.19587   0.19811   0.20365   0.20760
 Alpha virt. eigenvalues --    0.21636   0.21925   0.22367   0.22621   0.22977
 Alpha virt. eigenvalues --    0.23567   0.24233   0.24573   0.25057   0.25438
 Alpha virt. eigenvalues --    0.25906   0.26542   0.27143   0.27382   0.28897
 Alpha virt. eigenvalues --    0.29154   0.29282   0.29468   0.29732   0.30328
 Alpha virt. eigenvalues --    0.30572   0.31620   0.31813   0.32455   0.33185
 Alpha virt. eigenvalues --    0.33468   0.33838   0.34418   0.34830   0.35532
 Alpha virt. eigenvalues --    0.36173   0.37046   0.37269   0.37862   0.38120
 Alpha virt. eigenvalues --    0.38534   0.38961   0.39732   0.39935   0.40131
 Alpha virt. eigenvalues --    0.40245   0.40666   0.41115   0.41334   0.42256
 Alpha virt. eigenvalues --    0.42827   0.43693   0.43850   0.44498   0.45315
 Alpha virt. eigenvalues --    0.46053   0.46876   0.47745   0.48439   0.48805
 Alpha virt. eigenvalues --    0.49144   0.49919   0.51061   0.51756   0.51950
 Alpha virt. eigenvalues --    0.52680   0.53124   0.53822   0.53968   0.55058
 Alpha virt. eigenvalues --    0.55605   0.56164   0.56492   0.56921   0.57612
 Alpha virt. eigenvalues --    0.57939   0.58286   0.58497   0.59268   0.59381
 Alpha virt. eigenvalues --    0.59927   0.60892   0.61328   0.61998   0.62346
 Alpha virt. eigenvalues --    0.62919   0.63307   0.64352   0.65023   0.65344
 Alpha virt. eigenvalues --    0.65796   0.66785   0.66882   0.67506   0.68054
 Alpha virt. eigenvalues --    0.68225   0.69334   0.69749   0.70539   0.71307
 Alpha virt. eigenvalues --    0.71645   0.71981   0.72490   0.73170   0.73586
 Alpha virt. eigenvalues --    0.74546   0.75161   0.75501   0.76338   0.76647
 Alpha virt. eigenvalues --    0.77751   0.77893   0.79133   0.79509   0.80498
 Alpha virt. eigenvalues --    0.80673   0.81320   0.81784   0.82541   0.83198
 Alpha virt. eigenvalues --    0.84298   0.85033   0.85510   0.85832   0.86616
 Alpha virt. eigenvalues --    0.88809   0.89211   0.90114   0.91201   0.91487
 Alpha virt. eigenvalues --    0.91961   0.93325   0.93967   0.95062   0.96047
 Alpha virt. eigenvalues --    0.96844   0.99919   1.01010   1.01605   1.02032
 Alpha virt. eigenvalues --    1.03809   1.04390   1.04851   1.07203   1.08032
 Alpha virt. eigenvalues --    1.09203   1.11472   1.11970   1.12968   1.14435
 Alpha virt. eigenvalues --    1.15044   1.17179   1.17347   1.17716   1.19119
 Alpha virt. eigenvalues --    1.21363   1.21767   1.22344   1.23320   1.24525
 Alpha virt. eigenvalues --    1.25136   1.27849   1.29380   1.30887   1.32319
 Alpha virt. eigenvalues --    1.33127   1.34357   1.36632   1.39367   1.40926
 Alpha virt. eigenvalues --    1.41374   1.43460   1.44590   1.46924   1.47342
 Alpha virt. eigenvalues --    1.49101   1.50160   1.50764   1.51443   1.52822
 Alpha virt. eigenvalues --    1.54474   1.56197   1.56818   1.58114   1.58640
 Alpha virt. eigenvalues --    1.58782   1.60176   1.61202   1.62219   1.64153
 Alpha virt. eigenvalues --    1.65439   1.66054   1.68256   1.68911   1.70848
 Alpha virt. eigenvalues --    1.71939   1.72777   1.74256   1.74781   1.75669
 Alpha virt. eigenvalues --    1.76910   1.78482   1.79294   1.80376   1.81902
 Alpha virt. eigenvalues --    1.82172   1.83313   1.83825   1.85923   1.86227
 Alpha virt. eigenvalues --    1.86829   1.87299   1.88448   1.89862   1.90418
 Alpha virt. eigenvalues --    1.91487   1.92300   1.94844   1.95210   1.95958
 Alpha virt. eigenvalues --    1.97127   1.98264   2.00016   2.01564   2.02024
 Alpha virt. eigenvalues --    2.03969   2.04766   2.05510   2.06584   2.07900
 Alpha virt. eigenvalues --    2.09368   2.10096   2.10688   2.11697   2.13356
 Alpha virt. eigenvalues --    2.14033   2.15209   2.17085   2.20122   2.20597
 Alpha virt. eigenvalues --    2.21060   2.22413   2.23624   2.24168   2.26532
 Alpha virt. eigenvalues --    2.27687   2.29272   2.30637   2.31862   2.33634
 Alpha virt. eigenvalues --    2.34870   2.36602   2.37237   2.38689   2.38749
 Alpha virt. eigenvalues --    2.39899   2.42391   2.43588   2.45018   2.46250
 Alpha virt. eigenvalues --    2.47703   2.48293   2.50207   2.50890   2.53049
 Alpha virt. eigenvalues --    2.53495   2.55829   2.56519   2.58089   2.58948
 Alpha virt. eigenvalues --    2.60258   2.62222   2.62602   2.65052   2.65983
 Alpha virt. eigenvalues --    2.68155   2.69818   2.70534   2.74705   2.75701
 Alpha virt. eigenvalues --    2.77910   2.79099   2.84313   2.84571   2.85656
 Alpha virt. eigenvalues --    2.89770   2.91284   2.98101   3.00031   3.04903
 Alpha virt. eigenvalues --    3.09432   3.14199   3.21195   3.28792   3.35518
 Alpha virt. eigenvalues --    3.39954   3.47969   3.49818   3.51457   3.57713
 Alpha virt. eigenvalues --    3.70302   3.87522   4.14486   4.47290   5.23846
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   19.484678  -4.000579  -0.007216   0.237349  -2.593887   0.244886
     2  C   -4.000579  17.097259  -2.159032   1.842314  -2.971984  -3.590825
     3  C   -0.007216  -2.159032   9.909000  -2.918767   1.283306   0.652038
     4  C    0.237349   1.842314  -2.918767   9.216560  -2.655283  -0.685018
     5  C   -2.593887  -2.971984   1.283306  -2.655283  16.850590   0.525646
     6  C    0.244886  -3.590825   0.652038  -0.685018   0.525646  10.600277
     7  C   -0.287989   1.973647  -0.493533   0.333035  -2.199279  -1.452273
     8  C   -0.331640  -1.011780  -0.773934   0.283591   0.494699  -0.849560
     9  O    0.078262   0.078323  -0.067535   0.094869  -0.118361  -0.349145
    10  C   -2.256201  -0.338867  -0.213571   0.010694  -0.284516   0.170385
    11  C   -2.049442   0.121460   0.010474  -0.169393  -0.403582   0.008652
    12  H    0.121670   0.445079  -0.879497   0.341700  -0.296070   0.126342
    13  H   -0.034959  -0.144775  -1.014791   0.323705  -0.029749  -0.020515
    14  H    0.222822  -0.349528   0.670544  -1.029566  -0.413091   0.240475
    15  H   -0.172825  -0.258926   0.478872  -0.864548   0.708131  -0.097865
    16  H   -0.374219   0.153461   0.004931  -0.107321   0.737181   0.024338
    17  H    0.457897  -0.428882   0.042622   0.165397  -0.672943   0.355952
    18  H   -0.213585   0.307636   0.064300   0.403682  -3.279646  -0.000387
    19  H   -0.003494   0.000854   0.211677   0.038007  -0.082495   0.295363
    20  H   -0.177067   0.270976  -0.096778  -0.075480   0.103591  -0.005184
    21  H    0.076675  -0.145374  -0.016606   0.028884   0.106852  -0.321311
    22  H    0.640992  -0.340146   0.016034  -0.203055  -0.141718   0.074923
    23  H   -0.226717  -0.268589   0.221868  -0.113828   0.113023   0.070233
    24  H   -0.184752   0.415880  -0.144060   0.202232  -0.135620  -0.092323
    25  H    1.006627  -0.481917   0.012392   0.065784  -0.143554  -0.142485
    26  H   -0.146517   0.220549  -0.127984   0.095872  -0.333503  -0.073761
    27  H   -0.262346   0.015448   0.140169  -0.115258   0.162342   0.258571
               7          8          9         10         11         12
     1  C   -0.287989  -0.331640   0.078262  -2.256201  -2.049442   0.121670
     2  C    1.973647  -1.011780   0.078323  -0.338867   0.121460   0.445079
     3  C   -0.493533  -0.773934  -0.067535  -0.213571   0.010474  -0.879497
     4  C    0.333035   0.283591   0.094869   0.010694  -0.169393   0.341700
     5  C   -2.199279   0.494699  -0.118361  -0.284516  -0.403582  -0.296070
     6  C   -1.452273  -0.849560  -0.349145   0.170385   0.008652   0.126342
     7  C    8.169622  -0.013114  -0.060377  -0.231793  -0.143352   0.044923
     8  C   -0.013114   7.140768   0.071122  -0.109478  -0.109150  -0.225686
     9  O   -0.060377   0.071122   8.819908   0.026514  -0.033268  -0.007243
    10  C   -0.231793  -0.109478   0.026514   7.280432  -0.447138  -0.006010
    11  C   -0.143352  -0.109150  -0.033268  -0.447138   7.098791   0.041710
    12  H    0.044923  -0.225686  -0.007243  -0.006010   0.041710   3.553980
    13  H   -0.106181   0.116343   0.036987   0.099072  -0.000882  -1.212617
    14  H    0.074259  -0.067217  -0.009197   0.105332  -0.031910   0.292041
    15  H   -0.006350   0.046137   0.005587  -0.140187   0.066722  -0.654006
    16  H   -0.557872   0.068866   0.030672   0.052173  -0.107892  -0.006063
    17  H   -0.537815  -0.046295   0.047917  -0.011621   0.083273   0.008779
    18  H    0.406091  -0.068248  -0.002432   0.117788   0.142648   0.022621
    19  H    0.018590  -0.220893  -0.036725  -0.000541   0.030060   0.019429
    20  H   -0.011808  -0.053673   0.023952   0.013817  -0.005661  -0.004348
    21  H   -0.024413   0.146161   0.021537   0.041594  -0.020596  -0.120018
    22  H    0.018270   0.083586  -0.008202  -0.244833   0.139263  -0.016689
    23  H   -0.084737  -0.176658   0.005145   0.267423   0.071587  -0.027947
    24  H    0.098559   0.001528   0.003495  -0.056515  -0.222121   0.013024
    25  H   -0.143735   0.063206   0.074219   0.093125  -0.248922   0.002826
    26  H    0.276487   0.021290   0.000865   0.000313  -0.141837  -0.014847
    27  H   -0.168823  -0.207965  -0.028337   0.002892   0.204176   0.017089
              13         14         15         16         17         18
     1  C   -0.034959   0.222822  -0.172825  -0.374219   0.457897  -0.213585
     2  C   -0.144775  -0.349528  -0.258926   0.153461  -0.428882   0.307636
     3  C   -1.014791   0.670544   0.478872   0.004931   0.042622   0.064300
     4  C    0.323705  -1.029566  -0.864548  -0.107321   0.165397   0.403682
     5  C   -0.029749  -0.413091   0.708131   0.737181  -0.672943  -3.279646
     6  C   -0.020515   0.240475  -0.097865   0.024338   0.355952  -0.000387
     7  C   -0.106181   0.074259  -0.006350  -0.557872  -0.537815   0.406091
     8  C    0.116343  -0.067217   0.046137   0.068866  -0.046295  -0.068248
     9  O    0.036987  -0.009197   0.005587   0.030672   0.047917  -0.002432
    10  C    0.099072   0.105332  -0.140187   0.052173  -0.011621   0.117788
    11  C   -0.000882  -0.031910   0.066722  -0.107892   0.083273   0.142648
    12  H   -1.212617   0.292041  -0.654006  -0.006063   0.008779   0.022621
    13  H    3.646338  -0.423590   0.314828   0.014525  -0.013314  -0.008027
    14  H   -0.423590   3.399694  -1.178815   0.053865  -0.093216   0.092821
    15  H    0.314828  -1.178815   3.432533  -0.029580   0.078464  -0.169271
    16  H    0.014525   0.053865  -0.029580   2.543848  -0.838562  -0.140109
    17  H   -0.013314  -0.093216   0.078464  -0.838562   2.787361   0.063006
    18  H   -0.008027   0.092821  -0.169271  -0.140109   0.063006   4.155147
    19  H   -0.042408   0.003827  -0.005334  -0.002070  -0.003992   0.002335
    20  H    0.006483  -0.000600  -0.005110   0.006276  -0.003789  -0.001671
    21  H    0.076925  -0.011519   0.021935  -0.001013   0.002660  -0.008118
    22  H    0.025406   0.026359  -0.042333   0.013975  -0.007827  -0.003921
    23  H    0.023725  -0.016113   0.033497  -0.015127   0.006937   0.027259
    24  H   -0.009507   0.028002  -0.022604   0.015536  -0.003677   0.033387
    25  H    0.002505  -0.004862   0.013062  -0.103238   0.040391   0.008736
    26  H    0.005862  -0.006845   0.018974  -0.021957   0.031636   0.026199
    27  H   -0.001637   0.006144  -0.017616   0.037422  -0.018219   0.020681
              19         20         21         22         23         24
     1  C   -0.003494  -0.177067   0.076675   0.640992  -0.226717  -0.184752
     2  C    0.000854   0.270976  -0.145374  -0.340146  -0.268589   0.415880
     3  C    0.211677  -0.096778  -0.016606   0.016034   0.221868  -0.144060
     4  C    0.038007  -0.075480   0.028884  -0.203055  -0.113828   0.202232
     5  C   -0.082495   0.103591   0.106852  -0.141718   0.113023  -0.135620
     6  C    0.295363  -0.005184  -0.321311   0.074923   0.070233  -0.092323
     7  C    0.018590  -0.011808  -0.024413   0.018270  -0.084737   0.098559
     8  C   -0.220893  -0.053673   0.146161   0.083586  -0.176658   0.001528
     9  O   -0.036725   0.023952   0.021537  -0.008202   0.005145   0.003495
    10  C   -0.000541   0.013817   0.041594  -0.244833   0.267423  -0.056515
    11  C    0.030060  -0.005661  -0.020596   0.139263   0.071587  -0.222121
    12  H    0.019429  -0.004348  -0.120018  -0.016689  -0.027947   0.013024
    13  H   -0.042408   0.006483   0.076925   0.025406   0.023725  -0.009507
    14  H    0.003827  -0.000600  -0.011519   0.026359  -0.016113   0.028002
    15  H   -0.005334  -0.005110   0.021935  -0.042333   0.033497  -0.022604
    16  H   -0.002070   0.006276  -0.001013   0.013975  -0.015127   0.015536
    17  H   -0.003992  -0.003789   0.002660  -0.007827   0.006937  -0.003677
    18  H    0.002335  -0.001671  -0.008118  -0.003921   0.027259   0.033387
    19  H    1.950904  -0.461963  -0.550203   0.007884   0.010417  -0.010020
    20  H   -0.461963   2.104762  -0.495508   0.033194  -0.021140  -0.003351
    21  H   -0.550203  -0.495508   2.409498  -0.058024   0.033685   0.032289
    22  H    0.007884   0.033194  -0.058024   2.634556  -0.674445  -0.590582
    23  H    0.010417  -0.021140   0.033685  -0.674445   2.602030  -0.570899
    24  H   -0.010020  -0.003351   0.032289  -0.590582  -0.570899   2.471826
    25  H    0.015513  -0.083134   0.031584  -0.063316   0.073040   0.003342
    26  H   -0.009874   0.034295   0.006189   0.040975   0.012991  -0.025470
    27  H    0.006974   0.036372  -0.035889   0.054917  -0.099809   0.029751
              25         26         27
     1  C    1.006627  -0.146517  -0.262346
     2  C   -0.481917   0.220549   0.015448
     3  C    0.012392  -0.127984   0.140169
     4  C    0.065784   0.095872  -0.115258
     5  C   -0.143554  -0.333503   0.162342
     6  C   -0.142485  -0.073761   0.258571
     7  C   -0.143735   0.276487  -0.168823
     8  C    0.063206   0.021290  -0.207965
     9  O    0.074219   0.000865  -0.028337
    10  C    0.093125   0.000313   0.002892
    11  C   -0.248922  -0.141837   0.204176
    12  H    0.002826  -0.014847   0.017089
    13  H    0.002505   0.005862  -0.001637
    14  H   -0.004862  -0.006845   0.006144
    15  H    0.013062   0.018974  -0.017616
    16  H   -0.103238  -0.021957   0.037422
    17  H    0.040391   0.031636  -0.018219
    18  H    0.008736   0.026199   0.020681
    19  H    0.015513  -0.009874   0.006974
    20  H   -0.083134   0.034295   0.036372
    21  H    0.031584   0.006189  -0.035889
    22  H   -0.063316   0.040975   0.054917
    23  H    0.073040   0.012991  -0.099809
    24  H    0.003342  -0.025470   0.029751
    25  H    2.536094  -0.631520  -0.641868
    26  H   -0.631520   2.645283  -0.587195
    27  H   -0.641868  -0.587195   2.495287
 Mulliken charges:
               1
     1  C   -3.248422
     2  C   -0.451682
     3  C    1.195077
     4  C    1.253842
     5  C    1.669921
     6  C    0.032572
     7  C    1.109960
     8  C    1.727992
     9  O   -0.698553
    10  C    2.059714
    11  C    2.116329
    12  H   -0.580173
    13  H   -0.629751
    14  H   -0.580118
    15  H   -0.553373
    16  H   -0.452047
    17  H   -0.492140
    18  H   -0.998921
    19  H   -0.181821
    20  H   -0.127451
    21  H   -0.227876
    22  H   -0.415242
    23  H   -0.276850
    24  H   -0.277351
    25  H   -0.353895
    26  H   -0.316472
    27  H   -0.303271
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -3.248422
     2  C   -0.451682
     3  C   -0.014847
     4  C    0.120351
     5  C    0.671000
     6  C    0.032572
     7  C    0.165774
     8  C    1.190845
     9  O   -0.698553
    10  C    1.090271
    11  C    1.142691
 Electronic spatial extent (au):  <R**2>=           1477.0318
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              3.1047    Y=              0.9293    Z=             -0.1539  Tot=              3.2444
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -79.4538   YY=            -68.0540   ZZ=            -67.5463
   XY=             -2.3662   XZ=              1.1624   YZ=              0.3511
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -7.7691   YY=              3.6307   ZZ=              4.1384
   XY=             -2.3662   XZ=              1.1624   YZ=              0.3511
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             24.5922  YYY=              0.2041  ZZZ=              2.4475  XYY=             -4.2052
  XXY=              6.6987  XXZ=             -3.9626  XZZ=             -3.1519  YZZ=              0.7997
  YYZ=              0.9501  XYZ=              0.2462
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -904.6275 YYYY=           -660.9980 ZZZZ=           -566.3939 XXXY=             -6.3355
 XXXZ=             15.3523 YYYX=             -5.7933 YYYZ=             -1.7470 ZZZX=             -5.3025
 ZZZY=              4.2556 XXYY=           -242.8538 XXZZ=           -222.1614 YYZZ=           -209.1402
 XXYZ=              1.5236 YYXZ=             -1.1985 ZZXY=              2.5503
 N-N= 6.881402158671D+02 E-N=-2.457982847412D+03  KE= 4.632190575426D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Fri Jul  9 21:53:29 2021, MaxMem= 17179869184 cpu:               3.5 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 1.19406424D+00 3.61083692D-01-5.72722282D-02
 Polarizability= 1.14673425D+02 7.41876557D-01 1.11152414D+02
                -7.58282032D-02 1.27064056D+00 1.07423950D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 6     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.1755    0.1726        0.4911    0.4890
 2     -0.1755   -0.1726       -0.8541   -0.8529       -2.3172   -2.3119
 3     -0.4911   -0.4890        4.2420    4.2365        0.8562    0.8529
 4      0.8541    0.8529        0.0000    0.0000       -0.4896   -0.4890
 5     -1.9247   -1.9246        0.4896    0.4890        0.1716    0.1726
 6     -0.8562   -0.8529       -0.1716   -0.1726        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.5179   -0.5179        1.4671    1.4671
 2      2.5588    2.5588       -0.0000    0.0000        1.4671    1.4671
 3      2.5588    2.5588       -0.5179   -0.5179       -0.0000    0.0000
 4     -0.5179   -0.5179       -2.5588   -2.5588       -6.9358   -6.9358
 5     -1.4671   -1.4671       12.7094   12.7094        2.5588    2.5588
 6     -5.7737   -5.7737        1.4671    1.4671        0.5179    0.5179
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0127    0.0000       -0.6730   -0.6905       -1.9397   -1.9561
 2      0.6530    0.6905        3.4494    3.4117        9.1887    9.2477
 3      1.9594    1.9561      -17.0585  -16.9459       -3.4234   -3.4117
 4     -3.3593   -3.4117        0.0016    0.0000        1.9317    1.9561
 5      7.7193    7.6983       -1.8613   -1.9561       -0.6353   -0.6905
 6      3.4363    3.4117        0.7160    0.6905       -0.0367    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0551    0.0000        7.2084    7.1622        2.4879    2.4876
 2     -7.3390   -7.1622        4.3331    4.1450        9.2702    9.3350
 3     -2.6480   -2.4876       11.8016   11.7790       -4.1500   -4.1450
 4     -4.2460   -4.1450        0.1489    0.0000       -2.4664   -2.4876
 5    -21.1088  -21.1139        2.4194    2.4876        7.0951    7.1622
 6      4.1431    4.1450       -7.1655   -7.1622        0.0138    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -7.4799   -7.4811       12.9923   12.9481       23.8962   23.8773
 2    -10.3442  -10.2830       20.7525   20.6129       23.9102   23.8773
 3    -10.3615  -10.2830       13.0368   12.9481       20.5584   20.5169
 4     -7.8391   -7.6648        2.7886    2.8019       13.5878   13.6243
 5     -3.3887   -3.3604       14.9236   15.1030       -2.7258   -2.8019
 6    -28.6823  -28.7273        3.3202    3.3604        7.5169    7.6648
 Full mass-weighted force constant matrix:
 Low frequencies ---  -15.6774   -6.3789   -0.0009   -0.0004   -0.0003    2.5755
 Low frequencies ---  107.8644  168.8419  183.4749
 Diagonal vibrational polarizability:
        4.4992302       6.3154133       7.5207719
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --    107.8534               168.8412               183.4743
 Red. masses --      4.5339                 1.1763                 1.1199
 Frc consts  --      0.0311                 0.0198                 0.0222
 IR Inten    --      3.8144                 0.1064                 0.0775
 RamAct Fr= 1--      0.6947                 0.1586                 0.0756
  Dep-P Fr= 1--      0.7495                 0.7114                 0.7485
  Dep-U Fr= 1--      0.8568                 0.8314                 0.8562
 Alpha2 Fr= 1--      0.0000                 0.0001                 0.0000
 Beta2  Fr= 1--      0.0992                 0.0220                 0.0108
 AlphaG Fr= 1--      0.0002                -0.0008                -0.0004
 Gamma2 Fr= 1--      0.1571                -0.0446                 0.1096
 Delta2 Fr= 1--     -0.0501                 0.0307                 0.0045
 Raman1 Fr= 1--       2.779                  0.635                  0.302
 ROA1   Fr= 1--      13.483                 -3.299                 10.666
 CID1   Fr= 1--       4.852                 -5.199                 35.279
 Raman2 Fr= 1--       1.190                  0.264                  0.129
 ROA2   Fr= 1--       4.172                 -1.316                  2.595
 CID2   Fr= 1--       3.505                 -4.991                 20.050
 Raman3 Fr= 1--       2.381                  0.528                  0.259
 ROA3   Fr= 1--      13.483                 -3.299                 10.666
 CID3   Fr= 1--       5.663                 -6.253                 41.205
 RC180  Fr= 1--       0.714                  0.663                  0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.01  -0.00     0.00  -0.01   0.01    -0.00  -0.00   0.01
     2   6    -0.01   0.05  -0.06    -0.01  -0.01   0.02     0.00  -0.00   0.00
     3   6     0.03   0.08  -0.03    -0.03   0.02   0.03    -0.03   0.02   0.02
     4   6     0.13   0.02  -0.02     0.04  -0.02   0.02     0.02   0.00   0.01
     5   6     0.01   0.03  -0.03    -0.01  -0.01   0.02     0.00  -0.00   0.00
     6   6     0.01  -0.03   0.02    -0.02  -0.01  -0.00    -0.00  -0.01  -0.00
     7   6    -0.03   0.09  -0.12    -0.02   0.00  -0.01    -0.00  -0.00  -0.01
     8   6     0.01   0.08  -0.13     0.02  -0.00  -0.01     0.03   0.00  -0.03
     9   8     0.09  -0.25   0.28    -0.03   0.02  -0.05    -0.01   0.00  -0.02
    10   6    -0.04  -0.07   0.06    -0.01   0.01  -0.03    -0.02  -0.05  -0.01
    11   6    -0.15   0.04   0.01     0.05   0.00   0.02     0.00   0.04   0.03
    12   1    -0.03   0.06  -0.07    -0.10   0.02  -0.03    -0.07   0.03  -0.02
    13   1     0.02   0.16   0.02    -0.06   0.05   0.10    -0.05   0.05   0.06
    14   1     0.25   0.09  -0.06     0.10   0.02   0.00     0.06   0.03   0.01
    15   1     0.17  -0.11   0.02     0.06  -0.10   0.03     0.03  -0.05   0.01
    16   1    -0.12   0.25  -0.10    -0.05   0.03  -0.01    -0.01   0.02  -0.01
    17   1    -0.00   0.06  -0.30    -0.01   0.00  -0.05    -0.00  -0.01  -0.03
    18   1    -0.02  -0.00   0.02    -0.02  -0.02   0.04    -0.00  -0.01   0.01
    19   1     0.06   0.12  -0.22     0.09   0.01  -0.10    -0.27  -0.11   0.42
    20   1    -0.09   0.05  -0.18    -0.08  -0.00  -0.02     0.58  -0.12  -0.03
    21   1     0.06   0.08  -0.07     0.08  -0.02   0.08    -0.20   0.24  -0.47
    22   1    -0.02  -0.20  -0.01    -0.20  -0.32  -0.23    -0.04  -0.10  -0.04
    23   1    -0.04  -0.10   0.20     0.16  -0.03   0.35    -0.04  -0.06   0.05
    24   1    -0.04   0.01   0.03     0.01   0.39  -0.23     0.01  -0.02  -0.05
    25   1    -0.13   0.20   0.03     0.16   0.25   0.22     0.00   0.05   0.03
    26   1    -0.08  -0.07  -0.01     0.29  -0.19  -0.13    -0.00   0.08   0.02
    27   1    -0.32   0.00   0.01    -0.25  -0.05  -0.04     0.02   0.03   0.08
                      4                      5                      6
                      A                      A                      A
 Frequencies --    217.3103               224.8310               241.8621
 Red. masses --      1.9044                 1.1543                 2.5418
 Frc consts  --      0.0530                 0.0344                 0.0876
 IR Inten    --      0.2196                 0.3175                 0.7529
 RamAct Fr= 1--      0.2929                 0.1092                 0.6434
  Dep-P Fr= 1--      0.7497                 0.7238                 0.6129
  Dep-U Fr= 1--      0.8569                 0.8397                 0.7600
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0016
 Beta2  Fr= 1--      0.0418                 0.0153                 0.0815
 AlphaG Fr= 1--     -0.0000                 0.0012                 0.0010
 Gamma2 Fr= 1--      0.0605                -0.0187                 0.1293
 Delta2 Fr= 1--     -0.0418                 0.0164                 0.0606
 Raman1 Fr= 1--       1.171                  0.437                  2.573
 ROA1   Fr= 1--       4.468                 -1.265                 14.356
 CID1   Fr= 1--       3.814                 -2.895                  5.579
 Raman2 Fr= 1--       0.502                  0.183                  0.978
 ROA2   Fr= 1--       1.786                 -0.579                  2.620
 CID2   Fr= 1--       3.558                 -3.158                  2.679
 Raman3 Fr= 1--       1.004                  0.367                  1.956
 ROA3   Fr= 1--       4.468                 -1.265                 14.356
 CID3   Fr= 1--       4.451                 -3.447                  7.340
 RC180  Fr= 1--       0.714                  0.679                  0.520
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.01    -0.00  -0.02  -0.01    -0.01   0.01  -0.01
     2   6     0.01   0.00  -0.02    -0.00  -0.01  -0.01     0.00   0.01   0.01
     3   6     0.05  -0.04  -0.04    -0.05   0.01  -0.00    -0.10   0.02   0.00
     4   6    -0.01  -0.02  -0.02     0.01  -0.02  -0.01    -0.03   0.01  -0.03
     5   6    -0.01  -0.00  -0.01     0.02  -0.02  -0.02     0.02   0.02  -0.02
     6   6     0.01   0.02   0.00     0.01  -0.00   0.01     0.00   0.02   0.03
     7   6     0.01   0.02  -0.00     0.03  -0.02   0.02     0.04   0.03   0.01
     8   6    -0.09  -0.01   0.05     0.01  -0.00  -0.04     0.25  -0.05   0.06
     9   8     0.02   0.01   0.04    -0.00   0.03   0.01    -0.02   0.09   0.04
    10   6     0.08   0.14   0.08     0.02   0.02   0.03    -0.02  -0.03   0.00
    11   6    -0.06  -0.12  -0.09    -0.04   0.01   0.00    -0.14  -0.09  -0.09
    12   1     0.11  -0.06   0.02    -0.10   0.02  -0.06    -0.17   0.05  -0.07
    13   1     0.08  -0.07  -0.11    -0.08   0.03   0.06    -0.15   0.03   0.10
    14   1    -0.06  -0.04  -0.03     0.04   0.01  -0.00    -0.01   0.02  -0.00
    15   1    -0.02   0.03  -0.01     0.01  -0.06  -0.03    -0.05  -0.03  -0.08
    16   1     0.01   0.02  -0.00     0.08  -0.06   0.02     0.06   0.04   0.01
    17   1     0.01   0.02  -0.00     0.02  -0.02   0.07     0.03   0.02   0.01
    18   1     0.01   0.00  -0.03     0.04  -0.03  -0.03     0.04   0.03  -0.05
    19   1    -0.27  -0.03   0.31     0.05   0.01  -0.09     0.31  -0.28  -0.01
    20   1     0.15  -0.01   0.09    -0.04  -0.01  -0.05     0.35  -0.04   0.09
    21   1    -0.25   0.01  -0.19     0.04  -0.00   0.01     0.37   0.08   0.15
    22   1     0.04   0.05   0.03    -0.09  -0.22  -0.12     0.02   0.01   0.03
    23   1     0.29   0.15   0.23     0.20  -0.00   0.33    -0.07  -0.03  -0.05
    24   1    -0.03   0.39   0.09    -0.01   0.35  -0.09    -0.01  -0.11   0.03
    25   1    -0.03  -0.03  -0.05    -0.18  -0.30  -0.25    -0.14  -0.00  -0.10
    26   1     0.03  -0.33  -0.08    -0.35   0.29   0.18    -0.10  -0.30  -0.03
    27   1    -0.23  -0.13  -0.24     0.36   0.07   0.11    -0.30  -0.10  -0.21
                      7                      8                      9
                      A                      A                      A
 Frequencies --    262.3832               290.0213               300.8236
 Red. masses --      2.2777                 1.9455                 2.8745
 Frc consts  --      0.0924                 0.0964                 0.1533
 IR Inten    --      0.6152                 0.3555                 1.8442
 RamAct Fr= 1--      0.9447                 0.4106                 0.7893
  Dep-P Fr= 1--      0.5899                 0.4203                 0.5889
  Dep-U Fr= 1--      0.7421                 0.5919                 0.7413
 Alpha2 Fr= 1--      0.0028                 0.0028                 0.0024
 Beta2  Fr= 1--      0.1168                 0.0405                 0.0975
 AlphaG Fr= 1--      0.0043                 0.0121                -0.0048
 Gamma2 Fr= 1--     -0.0661                 0.0390                 0.1716
 Delta2 Fr= 1--     -0.0834                -0.0058                 0.1017
 Raman1 Fr= 1--       3.779                  1.642                  3.157
 ROA1   Fr= 1--      -9.012                  3.556                 19.729
 CID1   Fr= 1--      -2.385                  2.165                  6.249
 Raman2 Fr= 1--       1.402                  0.486                  1.170
 ROA2   Fr= 1--      -0.918                  0.982                  3.306
 CID2   Fr= 1--      -0.655                  2.020                  2.825
 Raman3 Fr= 1--       2.804                  0.972                  2.340
 ROA3   Fr= 1--      -9.012                  3.556                 19.729
 CID3   Fr= 1--      -3.214                  3.659                  8.430
 RC180  Fr= 1--       0.484                  0.184                  0.483
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.01  -0.01    -0.01   0.02  -0.02    -0.06  -0.02   0.02
     2   6    -0.01   0.03   0.00     0.02   0.05  -0.04    -0.05  -0.02  -0.00
     3   6     0.03   0.06   0.02     0.11   0.00  -0.05     0.18  -0.10  -0.02
     4   6     0.13   0.01   0.06    -0.10   0.08   0.02     0.03  -0.04   0.02
     5   6    -0.02   0.00   0.05     0.00   0.02   0.01    -0.04  -0.02   0.02
     6   6    -0.02   0.01  -0.04     0.03   0.02  -0.02    -0.08   0.04   0.00
     7   6    -0.06   0.04  -0.06     0.02  -0.04   0.08    -0.04   0.03  -0.02
     8   6    -0.01  -0.04   0.19     0.01   0.01   0.07     0.11  -0.01  -0.10
     9   8     0.00  -0.07  -0.03     0.05  -0.04  -0.01    -0.10   0.10   0.15
    10   6    -0.06   0.03  -0.12    -0.06  -0.11  -0.06    -0.08   0.06  -0.08
    11   6     0.02  -0.07  -0.06    -0.08   0.04  -0.01     0.08  -0.03   0.01
    12   1    -0.02   0.06  -0.03     0.28   0.02   0.09     0.37  -0.19   0.19
    13   1     0.04   0.16   0.07     0.18  -0.09  -0.23     0.32  -0.13  -0.29
    14   1     0.25   0.08   0.01    -0.27  -0.03   0.07    -0.06  -0.09  -0.03
    15   1     0.18  -0.12   0.13    -0.14   0.28   0.03     0.03   0.06   0.09
    16   1    -0.15   0.08  -0.06     0.08  -0.16   0.07    -0.08   0.02  -0.02
    17   1    -0.02   0.05  -0.14     0.00  -0.02   0.21    -0.01   0.04  -0.03
    18   1    -0.06  -0.03   0.12     0.02   0.02  -0.01    -0.04  -0.04   0.04
    19   1    -0.04  -0.16   0.25    -0.01  -0.06   0.11     0.13  -0.10  -0.12
    20   1     0.05   0.11   0.33     0.04   0.09   0.15     0.23  -0.12  -0.17
    21   1    -0.03  -0.14   0.21    -0.01  -0.05   0.08     0.17   0.18  -0.13
    22   1    -0.14   0.02  -0.14    -0.17  -0.38  -0.22    -0.17   0.03  -0.10
    23   1    -0.07   0.03  -0.13    -0.06  -0.16   0.23    -0.01   0.06  -0.05
    24   1     0.00   0.03  -0.19     0.02   0.10  -0.24    -0.06   0.14  -0.14
    25   1    -0.07  -0.31  -0.20    -0.08   0.11  -0.02     0.08  -0.17   0.03
    26   1    -0.17   0.07   0.06    -0.07   0.01  -0.00     0.04   0.08  -0.00
    27   1     0.29  -0.01  -0.08    -0.14   0.03   0.02     0.23  -0.00   0.02
                     10                     11                     12
                      A                      A                      A
 Frequencies --    384.7229               395.1090               415.9510
 Red. masses --      2.4671                 2.4238                 2.1458
 Frc consts  --      0.2151                 0.2229                 0.2187
 IR Inten    --      0.7434                 0.1689                 1.2041
 RamAct Fr= 1--      0.4601                 1.6704                 0.4455
  Dep-P Fr= 1--      0.4516                 0.2123                 0.6568
  Dep-U Fr= 1--      0.6223                 0.3503                 0.7929
 Alpha2 Fr= 1--      0.0028                 0.0220                 0.0007
 Beta2  Fr= 1--      0.0477                 0.0975                 0.0589
 AlphaG Fr= 1--     -0.0116                -0.0106                -0.0050
 Gamma2 Fr= 1--     -0.1763                -0.2095                 0.2530
 Delta2 Fr= 1--     -0.0368                -0.1813                 0.1295
 Raman1 Fr= 1--       1.841                  6.682                  1.782
 ROA1   Fr= 1--     -18.104                -25.916                 28.433
 CID1   Fr= 1--      -9.836                 -3.879                 15.957
 Raman2 Fr= 1--       0.573                  1.170                  0.706
 ROA2   Fr= 1--      -3.937                 -3.578                  5.036
 CID2   Fr= 1--      -6.875                 -3.058                  7.129
 Raman3 Fr= 1--       1.145                  2.340                  1.413
 ROA3   Fr= 1--     -18.104                -25.916                 28.433
 CID3   Fr= 1--     -15.807                -11.074                 20.125
 RC180  Fr= 1--       0.245                 -0.299                  0.586
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04   0.03   0.10    -0.00   0.02  -0.01    -0.03   0.08   0.03
     2   6     0.06  -0.00   0.13    -0.02   0.05  -0.03    -0.02   0.06   0.03
     3   6    -0.02  -0.09   0.08    -0.02   0.06  -0.03     0.02  -0.05  -0.04
     4   6    -0.08  -0.01  -0.04    -0.05   0.06  -0.02     0.11  -0.07  -0.11
     5   6    -0.00   0.08   0.01    -0.04   0.04  -0.02    -0.04   0.08  -0.04
     6   6     0.05   0.02   0.04    -0.05   0.03  -0.03    -0.03   0.01   0.04
     7   6    -0.03   0.13  -0.04    -0.06   0.02  -0.05     0.00  -0.05   0.14
     8   6    -0.00   0.09  -0.04     0.01   0.03   0.03     0.02   0.08   0.01
     9   8     0.07  -0.03  -0.07    -0.04   0.00   0.03    -0.01  -0.06  -0.04
    10   6    -0.04  -0.04  -0.05     0.05  -0.16   0.15    -0.06   0.01   0.02
    11   6    -0.00  -0.13   0.01     0.18  -0.09  -0.06     0.01  -0.01  -0.02
    12   1    -0.01  -0.13   0.10     0.01   0.07  -0.01    -0.04  -0.16  -0.04
    13   1    -0.04  -0.21   0.06    -0.01   0.04  -0.06     0.02  -0.00  -0.03
    14   1    -0.17  -0.07  -0.06    -0.06   0.05  -0.01     0.29   0.02  -0.30
    15   1    -0.12   0.06  -0.10    -0.05   0.07  -0.02     0.20  -0.30   0.00
    16   1    -0.10   0.27  -0.02    -0.06  -0.01  -0.05     0.28  -0.30   0.13
    17   1    -0.02   0.09  -0.22    -0.05   0.03  -0.02    -0.12  -0.04   0.48
    18   1    -0.02   0.17  -0.04    -0.08   0.07  -0.02    -0.04   0.13  -0.08
    19   1     0.00   0.29  -0.06     0.01  -0.05   0.03     0.02   0.09  -0.00
    20   1    -0.06  -0.07  -0.20     0.04   0.08   0.08     0.03   0.04  -0.03
    21   1    -0.03   0.16  -0.12     0.02   0.01   0.06     0.03   0.15  -0.01
    22   1    -0.19  -0.13  -0.12     0.25  -0.34   0.08    -0.02  -0.01   0.02
    23   1    -0.12  -0.06   0.01    -0.04  -0.20   0.38    -0.14   0.00   0.03
    24   1     0.10  -0.02  -0.22    -0.02  -0.13   0.22    -0.04  -0.04   0.02
    25   1    -0.08  -0.30  -0.12     0.21  -0.31   0.04     0.04  -0.09   0.04
    26   1    -0.13  -0.19   0.17     0.19  -0.02  -0.11     0.05  -0.09  -0.03
    27   1     0.12  -0.08  -0.15     0.37  -0.02  -0.18     0.01   0.01  -0.15
                     13                     14                     15
                      A                      A                      A
 Frequencies --    476.4676               525.0170               560.6597
 Red. masses --      3.2728                 2.9420                 4.2152
 Frc consts  --      0.4378                 0.4778                 0.7807
 IR Inten    --      0.6315                 4.2454                 2.3808
 RamAct Fr= 1--      2.1314                 0.5947                 4.8075
  Dep-P Fr= 1--      0.6041                 0.4145                 0.2104
  Dep-U Fr= 1--      0.7532                 0.5861                 0.3477
 Alpha2 Fr= 1--      0.0057                 0.0042                 0.0635
 Beta2  Fr= 1--      0.2676                 0.0581                 0.2786
 AlphaG Fr= 1--     -0.0094                 0.0039                -0.0769
 Gamma2 Fr= 1--     -0.9104                 0.5083                -0.2927
 Delta2 Fr= 1--     -0.0332                 0.0944                 0.2069
 Raman1 Fr= 1--       8.525                  2.379                 19.230
 ROA1   Fr= 1--     -88.465                 51.815                -21.481
 CID1   Fr= 1--     -10.377                 21.782                 -1.117
 Raman2 Fr= 1--       3.211                  0.697                  3.343
 ROA2   Fr= 1--     -21.585                 11.444                 -8.680
 CID2   Fr= 1--      -6.723                 16.416                 -2.596
 Raman3 Fr= 1--       6.421                  1.394                  6.686
 ROA3   Fr= 1--     -88.465                 51.815                -21.481
 CID3   Fr= 1--     -13.777                 37.164                 -3.213
 RC180  Fr= 1--       0.506                  0.172                 -0.305
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.13   0.08  -0.08     0.03   0.08   0.09    -0.05   0.03  -0.08
     2   6     0.03  -0.02   0.07     0.12  -0.08  -0.05     0.03  -0.01  -0.08
     3   6     0.05  -0.04   0.08     0.02   0.04  -0.02    -0.05  -0.10  -0.06
     4   6     0.04   0.00   0.03     0.02   0.06  -0.02    -0.07  -0.19   0.12
     5   6    -0.05   0.05   0.02    -0.09   0.12   0.00    -0.14  -0.03   0.16
     6   6    -0.06  -0.10   0.12     0.10  -0.06  -0.07     0.13   0.12  -0.01
     7   6    -0.09  -0.06   0.02    -0.05  -0.12  -0.06    -0.10   0.11   0.13
     8   6    -0.02   0.01   0.01    -0.04  -0.12  -0.04     0.01  -0.06  -0.05
     9   8    -0.12   0.04   0.01     0.04   0.14   0.10     0.19   0.06   0.00
    10   6     0.19  -0.07  -0.07    -0.05   0.00   0.00    -0.03  -0.02   0.02
    11   6    -0.06   0.11  -0.16    -0.01  -0.04   0.05     0.03   0.09  -0.14
    12   1     0.12  -0.11   0.17    -0.09   0.17  -0.18    -0.06   0.02  -0.13
    13   1     0.10  -0.06  -0.03    -0.08   0.04   0.16    -0.09  -0.07   0.02
    14   1     0.11   0.04  -0.11     0.09   0.09  -0.13     0.14  -0.08  -0.07
    15   1     0.09  -0.11   0.11     0.07  -0.04   0.07     0.04  -0.40   0.29
    16   1    -0.10   0.15   0.05    -0.00  -0.33  -0.09    -0.35   0.14   0.11
    17   1    -0.16  -0.14  -0.16    -0.27  -0.21   0.10    -0.03   0.11  -0.05
    18   1    -0.14   0.10   0.07    -0.20   0.23   0.03    -0.03  -0.06   0.07
    19   1    -0.02   0.14   0.00    -0.09   0.05   0.03     0.02  -0.07  -0.07
    20   1    -0.09  -0.04  -0.06    -0.14  -0.07  -0.02     0.02  -0.06  -0.05
    21   1    -0.05  -0.01  -0.03    -0.15  -0.30  -0.10     0.02  -0.04  -0.04
    22   1     0.31  -0.19  -0.11    -0.17  -0.05  -0.04     0.13  -0.11   0.00
    23   1     0.04  -0.11   0.04    -0.21  -0.02  -0.01    -0.15  -0.04   0.10
    24   1     0.21  -0.13  -0.06     0.11  -0.08  -0.14    -0.06  -0.09   0.09
    25   1    -0.15   0.20  -0.36    -0.02  -0.11   0.04     0.06   0.10  -0.08
    26   1    -0.18   0.01   0.01    -0.02  -0.17   0.13     0.05   0.21  -0.22
    27   1    -0.16   0.09  -0.14    -0.02  -0.01  -0.11     0.07   0.09  -0.05
                     16                     17                     18
                      A                      A                      A
 Frequencies --    576.2037               619.5430               652.5346
 Red. masses --      3.6222                 2.6584                 3.7574
 Frc consts  --      0.7086                 0.6012                 0.9426
 IR Inten    --      0.8356                 0.9632                 2.1404
 RamAct Fr= 1--      2.4670                 2.0626                27.3674
  Dep-P Fr= 1--      0.4989                 0.5500                 0.0166
  Dep-U Fr= 1--      0.6657                 0.7097                 0.0327
 Alpha2 Fr= 1--      0.0122                 0.0079                 0.5850
 Beta2  Fr= 1--      0.2737                 0.2440                 0.1489
 AlphaG Fr= 1--     -0.0213                -0.0539                 0.3056
 Gamma2 Fr= 1--      0.4120                 0.1678                -0.3529
 Delta2 Fr= 1--     -0.4357                 0.1976                 0.0877
 Raman1 Fr= 1--       9.868                  8.251                109.470
 ROA1   Fr= 1--      25.608                 22.432                -31.076
 CID1   Fr= 1--       2.595                  2.719                 -0.284
 Raman2 Fr= 1--       3.284                  2.928                  1.787
 ROA2   Fr= 1--      13.374                  2.446                 -9.172
 CID2   Fr= 1--       4.072                  0.835                 -5.132
 Raman3 Fr= 1--       6.569                  5.855                  3.575
 ROA3   Fr= 1--      25.608                 22.432                -31.076
 CID3   Fr= 1--       3.898                  3.831                 -8.693
 RC180  Fr= 1--       0.331                  0.419                 -0.935
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.12  -0.06   0.06    -0.03  -0.06  -0.01    -0.04   0.05  -0.02
     2   6     0.05   0.10  -0.05     0.04   0.07  -0.05     0.03   0.04   0.07
     3   6    -0.04  -0.02  -0.11     0.03   0.05  -0.13    -0.03  -0.08   0.11
     4   6    -0.06  -0.12  -0.02    -0.01  -0.01  -0.06    -0.01  -0.08   0.04
     5   6    -0.06  -0.08   0.04    -0.05  -0.06  -0.03     0.06  -0.09   0.01
     6   6    -0.06   0.12  -0.13     0.09  -0.14   0.18     0.06  -0.04  -0.11
     7   6    -0.10  -0.04  -0.01    -0.04  -0.08   0.04     0.04  -0.19  -0.18
     8   6     0.04   0.18   0.05     0.02   0.12   0.04     0.04   0.21   0.09
     9   8    -0.02   0.00   0.07     0.01   0.08  -0.03     0.03   0.05   0.05
    10   6     0.19  -0.03  -0.09    -0.05   0.01   0.01    -0.13   0.03   0.06
    11   6    -0.02  -0.06   0.14     0.01  -0.05   0.05     0.00   0.09  -0.13
    12   1    -0.12   0.03  -0.21     0.04   0.03  -0.11    -0.04  -0.15   0.14
    13   1    -0.12  -0.03   0.02     0.02   0.03  -0.13    -0.04  -0.13   0.10
    14   1    -0.01  -0.09  -0.02     0.02   0.01  -0.04    -0.10  -0.12   0.13
    15   1    -0.04  -0.14   0.05     0.02  -0.00   0.03    -0.07   0.01  -0.07
    16   1    -0.20  -0.28  -0.07    -0.12   0.50   0.13    -0.07  -0.34  -0.23
    17   1     0.02   0.07   0.16    -0.16  -0.29  -0.53     0.03  -0.18  -0.10
    18   1    -0.13   0.08  -0.01    -0.04  -0.05  -0.05    -0.01  -0.12   0.09
    19   1     0.02   0.14   0.08     0.01   0.08   0.07     0.02   0.34   0.11
    20   1     0.05   0.23   0.10     0.02   0.21   0.13    -0.02   0.18   0.05
    21   1     0.02   0.13   0.06     0.00   0.02   0.07    -0.01   0.20   0.04
    22   1     0.03   0.04  -0.09    -0.09   0.05   0.03    -0.04  -0.00   0.06
    23   1     0.19  -0.01  -0.19     0.01   0.02  -0.03    -0.13   0.02   0.12
    24   1     0.28  -0.05  -0.19    -0.07   0.04   0.02    -0.19   0.04   0.12
    25   1    -0.07   0.10   0.02     0.04  -0.04   0.12     0.03   0.03  -0.08
    26   1    -0.08  -0.07   0.20     0.04   0.06  -0.03     0.04   0.09  -0.17
    27   1    -0.13  -0.10   0.26     0.05  -0.05   0.13     0.04   0.11  -0.18
                     19                     20                     21
                      A                      A                      A
 Frequencies --    714.3281               756.0539               836.2095
 Red. masses --      2.9996                 2.0838                 1.5196
 Frc consts  --      0.9018                 0.7018                 0.6261
 IR Inten    --      0.4383                 7.3510                 0.3252
 RamAct Fr= 1--      4.1670                 2.3934                 1.3912
  Dep-P Fr= 1--      0.4810                 0.6910                 0.1624
  Dep-U Fr= 1--      0.6496                 0.8173                 0.2794
 Alpha2 Fr= 1--      0.0224                 0.0025                 0.0208
 Beta2  Fr= 1--      0.4512                 0.3260                 0.0648
 AlphaG Fr= 1--      0.0317                 0.0085                 0.0674
 Gamma2 Fr= 1--      1.6989                 0.0407                -0.7468
 Delta2 Fr= 1--      0.6282                -0.0070                -0.1862
 Raman1 Fr= 1--      16.668                  9.573                  5.565
 ROA1   Fr= 1--     183.194                  3.680                -77.648
 CID1   Fr= 1--      10.991                  0.384                -13.953
 Raman2 Fr= 1--       5.414                  3.912                  0.777
 ROA2   Fr= 1--      35.747                  1.031                -16.433
 CID2   Fr= 1--       6.603                  0.264                -21.137
 Raman3 Fr= 1--      10.828                  7.824                  1.555
 ROA3   Fr= 1--     183.194                  3.680                -77.648
 CID3   Fr= 1--      16.919                  0.470                -49.936
 RC180  Fr= 1--       0.299                  0.635                 -0.441
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.08   0.18   0.12    -0.03  -0.07  -0.04     0.01   0.01   0.02
     2   6     0.03   0.03  -0.10     0.20  -0.05   0.03    -0.10   0.02   0.01
     3   6    -0.01  -0.02  -0.13     0.09  -0.02  -0.01     0.03  -0.04  -0.02
     4   6    -0.02  -0.11   0.04     0.03   0.02  -0.03     0.09   0.01  -0.06
     5   6     0.13  -0.03   0.10    -0.03  -0.05  -0.03     0.04   0.01   0.05
     6   6    -0.09  -0.05  -0.02    -0.07   0.02   0.02     0.03   0.03   0.01
     7   6     0.10  -0.01   0.04    -0.04   0.08   0.05    -0.08  -0.04   0.02
     8   6    -0.00  -0.03  -0.03     0.05   0.01   0.02    -0.04  -0.02  -0.00
     9   8    -0.12  -0.04  -0.00    -0.06  -0.02   0.02     0.04   0.01  -0.01
    10   6    -0.05   0.04   0.05    -0.05  -0.01   0.02     0.02  -0.01  -0.00
    11   6     0.03   0.05  -0.02    -0.00   0.02  -0.06     0.00   0.01  -0.01
    12   1    -0.07   0.08  -0.23    -0.24   0.15  -0.38    -0.30  -0.19  -0.22
    13   1    -0.04   0.07  -0.03    -0.14   0.01   0.45    -0.03   0.25   0.25
    14   1    -0.11  -0.16   0.17    -0.19  -0.11  -0.01    -0.35  -0.25   0.01
    15   1    -0.08   0.04  -0.03    -0.01   0.28   0.02    -0.03   0.48  -0.13
    16   1    -0.11   0.28   0.07     0.05   0.01   0.05    -0.19  -0.04   0.01
    17   1     0.28   0.03  -0.26     0.03   0.14   0.16    -0.15  -0.10  -0.05
    18   1     0.15   0.09  -0.00     0.03  -0.15  -0.01    -0.00  -0.02   0.12
    19   1    -0.04   0.02   0.03    -0.02   0.33   0.12     0.03  -0.21  -0.11
    20   1    -0.06   0.04   0.02    -0.12  -0.01  -0.03     0.09  -0.08  -0.04
    21   1    -0.08  -0.18  -0.06    -0.12  -0.19  -0.11     0.10   0.20   0.07
    22   1    -0.14  -0.08  -0.03    -0.07   0.03   0.03     0.01  -0.00  -0.00
    23   1    -0.35   0.00   0.09     0.01   0.00  -0.00     0.02  -0.01   0.01
    24   1     0.17  -0.11  -0.13    -0.09   0.03   0.05     0.02  -0.01  -0.00
    25   1    -0.02  -0.06  -0.10     0.02   0.05  -0.02    -0.01   0.00  -0.03
    26   1    -0.02  -0.15   0.13     0.02   0.11  -0.13    -0.01  -0.01   0.02
    27   1     0.02   0.10  -0.28     0.01   0.00   0.03    -0.00   0.02  -0.04
                     22                     23                     24
                      A                      A                      A
 Frequencies --    863.2119               873.5968               926.6827
 Red. masses --      2.6435                 2.1939                 2.5998
 Frc consts  --      1.1606                 0.9865                 1.3154
 IR Inten    --      1.9531                 0.4185                 1.1582
 RamAct Fr= 1--      3.8335                 6.6884                 4.6743
  Dep-P Fr= 1--      0.0962                 0.2132                 0.1749
  Dep-U Fr= 1--      0.1754                 0.3514                 0.2978
 Alpha2 Fr= 1--      0.0678                 0.0877                 0.0678
 Beta2  Fr= 1--      0.1121                 0.3918                 0.2320
 AlphaG Fr= 1--      0.0005                -0.1777                -0.0017
 Gamma2 Fr= 1--     -0.3951                -0.4266                 2.1255
 Delta2 Fr= 1--     -0.3104                -0.1610                 0.1932
 Raman1 Fr= 1--      15.334                 26.754                 18.697
 ROA1   Fr= 1--     -47.866                -46.108                210.227
 CID1   Fr= 1--      -3.122                 -1.723                 11.244
 Raman2 Fr= 1--       1.345                  4.701                  2.784
 ROA2   Fr= 1--      -7.001                 -8.950                 49.466
 CID2   Fr= 1--      -5.205                 -1.904                 17.770
 Raman3 Fr= 1--       2.690                  9.402                  5.567
 ROA3   Fr= 1--     -47.866                -46.108                210.227
 CID3   Fr= 1--     -17.793                 -4.904                 37.761
 RC180  Fr= 1--      -0.649                 -0.297                 -0.404
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.05  -0.05     0.02   0.00   0.01     0.05   0.01   0.05
     2   6     0.04   0.04  -0.12     0.03  -0.03   0.11     0.02   0.04  -0.07
     3   6    -0.03  -0.11   0.10    -0.07   0.02  -0.12     0.04   0.04   0.21
     4   6     0.01   0.06  -0.05     0.03   0.15  -0.10    -0.02   0.01  -0.12
     5   6     0.12   0.18   0.15     0.07  -0.09   0.08    -0.02  -0.16  -0.10
     6   6    -0.02  -0.05  -0.09    -0.01   0.05  -0.03    -0.01   0.08  -0.01
     7   6     0.01  -0.01   0.08    -0.07  -0.04   0.06    -0.08  -0.03   0.08
     8   6     0.02   0.03  -0.04     0.01  -0.04   0.04    -0.01  -0.01  -0.08
     9   8    -0.05  -0.00   0.02     0.01  -0.00   0.01     0.03   0.00   0.01
    10   6    -0.01  -0.02  -0.02    -0.03   0.01   0.02    -0.02   0.03   0.05
    11   6    -0.02  -0.05   0.01     0.01   0.01  -0.01     0.03   0.04  -0.01
    12   1    -0.03  -0.08   0.07     0.12  -0.06   0.08     0.06   0.06   0.22
    13   1    -0.07  -0.23   0.10    -0.05  -0.25  -0.33     0.04  -0.08   0.14
    14   1     0.03   0.05  -0.29     0.24   0.29  -0.01     0.05   0.06  -0.13
    15   1    -0.03  -0.10  -0.24     0.05  -0.09  -0.19    -0.02  -0.12  -0.20
    16   1    -0.30   0.07   0.06    -0.41  -0.08   0.01    -0.21   0.10   0.09
    17   1    -0.06  -0.10  -0.15     0.08   0.02  -0.06     0.07   0.01  -0.10
    18   1     0.20   0.08   0.15     0.13  -0.27   0.17     0.06  -0.22  -0.14
    19   1    -0.06  -0.06   0.08     0.03   0.23  -0.01    -0.06  -0.34   0.01
    20   1     0.01   0.29   0.19    -0.09  -0.27  -0.19     0.09   0.30   0.22
    21   1    -0.06  -0.24   0.00    -0.03   0.07  -0.08     0.01  -0.22   0.07
    22   1     0.05   0.06   0.03    -0.04   0.01   0.02    -0.19  -0.01   0.00
    23   1     0.19   0.00  -0.03    -0.03   0.01   0.01    -0.18   0.02  -0.02
    24   1    -0.15   0.09   0.08    -0.02   0.01   0.01     0.17  -0.06  -0.13
    25   1     0.04   0.04   0.12    -0.02   0.04  -0.09    -0.03  -0.00  -0.14
    26   1     0.03   0.17  -0.15    -0.02  -0.02   0.04    -0.02  -0.15   0.14
    27   1     0.05  -0.08   0.25    -0.02   0.01  -0.03    -0.03   0.06  -0.19
                     25                     26                     27
                      A                      A                      A
 Frequencies --    944.2818               947.7758               960.2831
 Red. masses --      1.7395                 2.1469                 1.6752
 Frc consts  --      0.9138                 1.1363                 0.9102
 IR Inten    --      2.2311                 1.8846                 1.4287
 RamAct Fr= 1--      2.4816                 2.0769                 4.5410
  Dep-P Fr= 1--      0.5007                 0.7264                 0.7425
  Dep-U Fr= 1--      0.6673                 0.8416                 0.8522
 Alpha2 Fr= 1--      0.0122                 0.0008                 0.0006
 Beta2  Fr= 1--      0.2760                 0.2913                 0.6450
 AlphaG Fr= 1--     -0.0035                 0.0087                 0.0081
 Gamma2 Fr= 1--      0.4767                 0.4900                -0.5708
 Delta2 Fr= 1--      0.8913                 0.7992                -1.3552
 Raman1 Fr= 1--       9.926                  8.307                 18.164
 ROA1   Fr= 1--      74.291                 72.613                -98.160
 CID1   Fr= 1--       7.484                  8.741                 -5.404
 Raman2 Fr= 1--       3.312                  3.496                  7.740
 ROA2   Fr= 1--       4.311                  5.366                 -2.857
 CID2   Fr= 1--       1.302                  1.535                 -0.369
 Raman3 Fr= 1--       6.624                  6.991                 15.480
 ROA3   Fr= 1--      74.291                 72.613                -98.160
 CID3   Fr= 1--      11.216                 10.386                 -6.341
 RC180  Fr= 1--       0.335                  0.683                  0.704
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.03  -0.00     0.05  -0.09   0.05    -0.03   0.07  -0.08
     2   6    -0.03  -0.02   0.05     0.00  -0.00   0.04     0.01  -0.01   0.02
     3   6     0.09   0.03   0.01     0.01   0.15   0.00     0.02   0.08   0.04
     4   6    -0.08   0.01  -0.03    -0.04  -0.15  -0.04    -0.02  -0.08  -0.03
     5   6    -0.05   0.04  -0.00     0.10   0.07   0.01     0.04  -0.01  -0.02
     6   6    -0.02   0.05  -0.08     0.01  -0.02   0.00     0.01  -0.01  -0.03
     7   6     0.11  -0.10   0.05    -0.09   0.03   0.01    -0.04   0.01   0.03
     8   6    -0.03  -0.01   0.04     0.00  -0.02   0.01     0.03  -0.02   0.01
     9   8    -0.00  -0.02   0.01    -0.01   0.00   0.00     0.00   0.01   0.01
    10   6    -0.04  -0.02  -0.01    -0.05  -0.05   0.05    -0.03   0.06  -0.09
    11   6     0.03   0.00  -0.01     0.03   0.02  -0.09     0.02  -0.05   0.09
    12   1    -0.08   0.14  -0.18     0.17   0.15   0.14     0.05   0.05   0.07
    13   1    -0.01   0.10   0.23     0.14   0.22  -0.18     0.08   0.18  -0.00
    14   1     0.05   0.06  -0.31    -0.04  -0.14   0.06    -0.08  -0.13   0.01
    15   1     0.05  -0.14   0.25    -0.11  -0.09  -0.20    -0.05  -0.01  -0.09
    16   1    -0.19   0.22   0.07    -0.15  -0.16  -0.03    -0.15  -0.05   0.01
    17   1     0.32  -0.06  -0.32    -0.24  -0.03   0.11    -0.08  -0.02  -0.01
    18   1    -0.08   0.23  -0.13     0.14   0.31  -0.21     0.21  -0.07  -0.14
    19   1     0.05  -0.02  -0.08     0.00   0.04   0.00    -0.01   0.16   0.05
    20   1     0.04  -0.19  -0.11    -0.03  -0.07  -0.04    -0.07  -0.06  -0.04
    21   1     0.07   0.24   0.03    -0.01  -0.01  -0.02    -0.06  -0.07  -0.06
    22   1     0.02   0.06   0.05    -0.33   0.17   0.13     0.56  -0.18  -0.12
    23   1     0.15   0.00  -0.01     0.23   0.02  -0.15    -0.19  -0.02   0.28
    24   1    -0.18   0.07   0.11    -0.04   0.13  -0.04    -0.27  -0.06   0.25
    25   1    -0.03   0.09  -0.16    -0.00   0.18  -0.18    -0.04   0.02  -0.04
    26   1    -0.05  -0.05   0.10    -0.03   0.13  -0.09    -0.07  -0.12   0.21
    27   1    -0.06  -0.02   0.02    -0.02  -0.03   0.11    -0.09  -0.07   0.10
                     28                     29                     30
                      A                      A                      A
 Frequencies --    966.2582              1002.9684              1032.5153
 Red. masses --      1.6050                 1.7337                 1.4950
 Frc consts  --      0.8829                 1.0276                 0.9390
 IR Inten    --      2.4686                 0.0792                 0.7856
 RamAct Fr= 1--      4.5526                 2.2746                 1.7320
  Dep-P Fr= 1--      0.7379                 0.6320                 0.7370
  Dep-U Fr= 1--      0.8492                 0.7745                 0.8486
 Alpha2 Fr= 1--      0.0009                 0.0049                 0.0004
 Beta2  Fr= 1--      0.6443                 0.2936                 0.2450
 AlphaG Fr= 1--     -0.0012                 0.0156                -0.0005
 Gamma2 Fr= 1--      0.0716                 0.2997                -0.3419
 Delta2 Fr= 1--     -1.4298                 0.2113                -0.3806
 Raman1 Fr= 1--      18.210                  9.099                  6.928
 ROA1   Fr= 1--     -38.879                 35.535                -45.000
 CID1   Fr= 1--      -2.135                  3.906                 -6.495
 Raman2 Fr= 1--       7.732                  3.524                  2.940
 ROA2   Fr= 1--      13.157                  5.503                 -5.160
 CID2   Fr= 1--       1.702                  1.562                 -1.755
 Raman3 Fr= 1--      15.464                  7.047                  5.879
 ROA3   Fr= 1--     -38.879                 35.535                -45.000
 CID3   Fr= 1--      -2.514                  5.043                 -7.654
 RC180  Fr= 1--       0.698                  0.549                  0.697
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.11   0.04   0.03     0.02  -0.00  -0.01    -0.01  -0.01   0.02
     2   6     0.00  -0.01   0.03     0.01  -0.00  -0.03    -0.01  -0.01   0.01
     3   6     0.03   0.05   0.03    -0.01  -0.09  -0.03    -0.01   0.04  -0.01
     4   6    -0.03  -0.04  -0.02     0.02   0.03   0.12    -0.00  -0.01  -0.06
     5   6     0.02  -0.01  -0.01     0.08   0.03  -0.11    -0.06  -0.03   0.09
     6   6     0.00  -0.00  -0.04    -0.00   0.02  -0.01     0.02  -0.05   0.02
     7   6    -0.00  -0.02   0.04    -0.08   0.00   0.03     0.03   0.04  -0.03
     8   6     0.02  -0.02   0.03    -0.01   0.02  -0.00     0.03   0.01  -0.03
     9   8     0.00   0.00   0.01    -0.00   0.00   0.00     0.01   0.01  -0.00
    10   6     0.10  -0.04  -0.03    -0.04  -0.05  -0.02    -0.02  -0.07  -0.05
    11   6    -0.10   0.05   0.02     0.04   0.06   0.05     0.04   0.08   0.03
    12   1     0.03   0.08   0.01    -0.01   0.07  -0.12    -0.02  -0.12   0.06
    13   1     0.04   0.09   0.03    -0.09  -0.19   0.07     0.04   0.09  -0.07
    14   1    -0.01  -0.03  -0.06     0.13   0.11   0.26    -0.08  -0.07  -0.18
    15   1    -0.02  -0.06  -0.02     0.04  -0.02   0.15    -0.01   0.03  -0.05
    16   1    -0.14   0.04   0.03    -0.07   0.01   0.04     0.07  -0.06  -0.04
    17   1     0.01  -0.05  -0.12    -0.27  -0.12  -0.03     0.19   0.16   0.11
    18   1     0.16  -0.07  -0.10     0.23   0.02  -0.26    -0.19  -0.08   0.27
    19   1     0.01   0.15   0.02     0.00  -0.06  -0.02    -0.05   0.00   0.09
    20   1    -0.06  -0.11  -0.07     0.04   0.04   0.02    -0.03   0.17   0.10
    21   1    -0.03   0.01  -0.05     0.03   0.05   0.03    -0.05  -0.21  -0.02
    22   1    -0.02   0.05  -0.01    -0.00   0.13   0.09     0.07   0.13   0.08
    23   1     0.21  -0.01  -0.15     0.30  -0.00  -0.07     0.37  -0.02  -0.06
    24   1     0.13   0.03  -0.10    -0.25   0.15   0.13    -0.28   0.16   0.15
    25   1     0.08  -0.40   0.46    -0.05  -0.11  -0.12    -0.05  -0.09  -0.14
    26   1     0.18   0.00  -0.24    -0.03  -0.29   0.27    -0.03  -0.26   0.25
    27   1     0.21   0.19  -0.38    -0.06   0.10  -0.31    -0.06   0.12  -0.32
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1039.7231              1057.4110              1102.1967
 Red. masses --      1.9694                 2.1714                 1.3159
 Frc consts  --      1.2544                 1.4305                 0.9419
 IR Inten    --     22.3124                20.8080                 1.8891
 RamAct Fr= 1--      2.6593                 1.4762                 1.7509
  Dep-P Fr= 1--      0.7108                 0.7057                 0.6855
  Dep-U Fr= 1--      0.8310                 0.8274                 0.8134
 Alpha2 Fr= 1--      0.0018                 0.0011                 0.0020
 Beta2  Fr= 1--      0.3683                 0.2036                 0.2374
 AlphaG Fr= 1--      0.0109                -0.0101                -0.0005
 Gamma2 Fr= 1--      0.3315                -0.5987                -0.9299
 Delta2 Fr= 1--      0.3883                 0.3556                -0.5007
 Raman1 Fr= 1--      10.637                  5.905                  7.003
 ROA1   Fr= 1--      44.254                -46.096               -105.298
 CID1   Fr= 1--       4.160                 -7.807                -15.035
 Raman2 Fr= 1--       4.420                  2.443                  2.848
 ROA2   Fr= 1--       4.850                -17.214                -18.313
 CID2   Fr= 1--       1.097                 -7.047                 -6.430
 Raman3 Fr= 1--       8.839                  4.886                  5.697
 ROA3   Fr= 1--      44.254                -46.096               -105.298
 CID3   Fr= 1--       5.007                 -9.435                -18.485
 RC180  Fr= 1--       0.662                  0.655                  0.627
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.02  -0.01    -0.00   0.01  -0.03     0.02   0.01  -0.03
     2   6     0.01   0.08   0.01     0.04   0.05  -0.01    -0.03   0.01   0.05
     3   6    -0.07  -0.01   0.02     0.09  -0.01  -0.01     0.02  -0.01  -0.03
     4   6     0.07  -0.03   0.02    -0.08  -0.03  -0.02    -0.05   0.03   0.02
     5   6    -0.01   0.01  -0.05     0.09  -0.00   0.07     0.04  -0.01  -0.01
     6   6    -0.05   0.18   0.05    -0.03   0.10   0.18     0.00   0.00   0.09
     7   6    -0.00  -0.12   0.00    -0.02  -0.05  -0.12    -0.00  -0.01  -0.05
     8   6     0.08  -0.08  -0.03    -0.05  -0.03  -0.01     0.03   0.00  -0.05
     9   8     0.03  -0.02  -0.01    -0.00  -0.02  -0.03     0.00  -0.00  -0.02
    10   6    -0.02  -0.03  -0.02    -0.02   0.01  -0.03    -0.01   0.01   0.01
    11   6    -0.02  -0.02   0.00    -0.02   0.01   0.02    -0.02  -0.01   0.00
    12   1     0.01  -0.14   0.15     0.11   0.47  -0.23    -0.15  -0.28  -0.04
    13   1     0.03   0.03  -0.14    -0.09  -0.22   0.20     0.03   0.14   0.04
    14   1    -0.06  -0.08   0.24     0.11   0.08  -0.11     0.03   0.06  -0.18
    15   1    -0.00   0.16  -0.06    -0.10  -0.29  -0.23     0.10   0.00   0.42
    16   1     0.04   0.18   0.06     0.08  -0.16  -0.13    -0.42  -0.33  -0.15
    17   1     0.09  -0.11  -0.18    -0.10  -0.05   0.08     0.20   0.13   0.07
    18   1    -0.38   0.37   0.04    -0.12  -0.02   0.30     0.20   0.10  -0.25
    19   1    -0.04   0.21   0.12     0.02  -0.22  -0.12    -0.06  -0.06   0.08
    20   1    -0.16  -0.02  -0.02     0.09  -0.08  -0.03    -0.02   0.18   0.10
    21   1    -0.16  -0.38  -0.18     0.07   0.11   0.06    -0.04  -0.25  -0.01
    22   1     0.03   0.06   0.04     0.12  -0.02  -0.02    -0.05  -0.00   0.00
    23   1     0.14  -0.00  -0.01     0.01   0.00   0.04    -0.04   0.01  -0.00
    24   1    -0.15   0.09   0.07    -0.10   0.01   0.07     0.02  -0.00  -0.01
    25   1     0.02  -0.01   0.08     0.01  -0.10   0.10     0.02  -0.03   0.09
    26   1     0.02   0.07  -0.08     0.03  -0.03  -0.02     0.02   0.04  -0.06
    27   1     0.04  -0.02   0.06     0.02   0.04  -0.07     0.03  -0.01   0.03
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1120.4900              1150.6750              1173.3680
 Red. masses --      1.4432                 2.0119                 2.4792
 Frc consts  --      1.0676                 1.5695                 2.0111
 IR Inten    --      3.7993                 1.0148                 0.5374
 RamAct Fr= 1--      4.9896                 1.3478                 5.0017
  Dep-P Fr= 1--      0.7476                 0.7178                 0.7500
  Dep-U Fr= 1--      0.8556                 0.8357                 0.8571
 Alpha2 Fr= 1--      0.0002                 0.0007                 0.0000
 Beta2  Fr= 1--      0.7115                 0.1877                 0.7145
 AlphaG Fr= 1--     -0.0003                 0.0083                 0.0000
 Gamma2 Fr= 1--      0.7541                -0.3505                 1.8516
 Delta2 Fr= 1--      0.0674                -0.8865                 0.0702
 Raman1 Fr= 1--      19.958                  5.391                 20.007
 ROA1   Fr= 1--      74.549                -62.019                179.997
 CID1   Fr= 1--       3.735                -11.504                  8.997
 Raman2 Fr= 1--       8.538                  2.253                  8.574
 ROA2   Fr= 1--      17.559                 -1.321                 43.876
 CID2   Fr= 1--       2.056                 -0.587                  5.117
 Raman3 Fr= 1--      17.076                  4.505                 17.149
 ROA3   Fr= 1--      74.549                -62.019                179.997
 CID3   Fr= 1--       4.366                -13.766                 10.496
 RC180  Fr= 1--       0.711                  0.671                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.03   0.06    -0.11  -0.06   0.11    -0.03   0.07   0.16
     2   6     0.07  -0.01   0.07    -0.04  -0.04   0.14    -0.14   0.11  -0.08
     3   6     0.00   0.03  -0.02     0.03   0.04  -0.07     0.09  -0.05   0.03
     4   6     0.04  -0.01  -0.03    -0.03  -0.01  -0.01    -0.07   0.07  -0.03
     5   6    -0.01  -0.03   0.00    -0.00   0.03   0.03     0.03  -0.12   0.01
     6   6     0.02  -0.06  -0.03    -0.02   0.07  -0.04     0.04  -0.08  -0.00
     7   6    -0.02   0.01   0.03     0.06  -0.02  -0.01    -0.03   0.04  -0.02
     8   6    -0.07   0.02  -0.05     0.03   0.03  -0.09     0.06  -0.05   0.04
     9   8    -0.01   0.01   0.01     0.01  -0.02   0.00     0.02   0.02  -0.00
    10   6    -0.02  -0.00  -0.06     0.05   0.03  -0.03     0.02  -0.04  -0.05
    11   6    -0.05  -0.01  -0.03     0.03   0.02  -0.05     0.02  -0.04  -0.06
    12   1     0.02  -0.01   0.01    -0.05  -0.04  -0.10    -0.15  -0.09  -0.16
    13   1    -0.10  -0.27   0.01    -0.08  -0.14   0.05    -0.03  -0.03   0.27
    14   1     0.07   0.05   0.37     0.07   0.07   0.15     0.20   0.26   0.19
    15   1     0.01   0.09  -0.05    -0.00  -0.03   0.05    -0.02  -0.20  -0.06
    16   1    -0.09  -0.01   0.02     0.18   0.10   0.02     0.16  -0.00  -0.00
    17   1     0.25   0.18   0.05    -0.44  -0.35  -0.14    -0.07   0.05   0.10
    18   1    -0.16   0.35  -0.16     0.16  -0.12  -0.01    -0.03   0.17  -0.16
    19   1    -0.02  -0.35  -0.09    -0.11  -0.15   0.14     0.01   0.29   0.08
    20   1     0.17   0.12   0.09     0.00   0.32   0.18    -0.20  -0.17  -0.12
    21   1     0.11   0.07   0.16    -0.02  -0.33   0.04    -0.13  -0.08  -0.19
    22   1     0.22  -0.00  -0.02     0.17  -0.10  -0.08     0.15   0.06   0.02
    23   1     0.06  -0.01   0.10    -0.07  -0.01   0.07     0.20  -0.02   0.01
    24   1    -0.20   0.03   0.14     0.08  -0.11   0.00    -0.11   0.06   0.06
    25   1     0.04  -0.02   0.15    -0.02   0.10  -0.17     0.02   0.21  -0.07
    26   1     0.05   0.14  -0.20    -0.04   0.03   0.01    -0.07   0.19  -0.07
    27   1     0.09   0.01   0.03    -0.06  -0.00  -0.01    -0.01  -0.08   0.19
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1191.9830              1218.6914              1228.3190
 Red. masses --      1.6685                 1.9588                 1.7583
 Frc consts  --      1.3967                 1.7141                 1.5630
 IR Inten    --      3.3791                 1.0053                 3.2303
 RamAct Fr= 1--      1.9896                 2.5489                 3.0018
  Dep-P Fr= 1--      0.7485                 0.7312                 0.6390
  Dep-U Fr= 1--      0.8561                 0.8447                 0.7798
 Alpha2 Fr= 1--      0.0001                 0.0008                 0.0060
 Beta2  Fr= 1--      0.2839                 0.3589                 0.3901
 AlphaG Fr= 1--      0.0001                 0.0030                -0.0329
 Gamma2 Fr= 1--      1.0674                -1.2576                -0.8609
 Delta2 Fr= 1--      0.4888                -0.9821                -1.1303
 Raman1 Fr= 1--       7.959                 10.196                 12.007
 ROA1   Fr= 1--     118.113               -152.154               -118.811
 CID1   Fr= 1--      14.841                -14.924                 -9.895
 Raman2 Fr= 1--       3.407                  4.306                  4.681
 ROA2   Fr= 1--      21.708                -22.324                -11.618
 CID2   Fr= 1--       6.372                 -5.184                 -2.482
 Raman3 Fr= 1--       6.814                  8.612                  9.363
 ROA3   Fr= 1--     118.113               -152.154               -118.811
 CID3   Fr= 1--      17.335                -17.667                -12.690
 RC180  Fr= 1--       0.712                  0.689                  0.560
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08  -0.09  -0.00    -0.10  -0.05   0.04    -0.08   0.17   0.03
     2   6    -0.10  -0.11  -0.06     0.08   0.15  -0.07    -0.02  -0.03   0.03
     3   6     0.01  -0.03   0.01    -0.04   0.05   0.04    -0.02  -0.02  -0.01
     4   6     0.05   0.01  -0.01     0.06  -0.03  -0.04     0.04  -0.03   0.01
     5   6    -0.00   0.03  -0.00    -0.07   0.00   0.04    -0.05   0.05  -0.06
     6   6     0.01  -0.01   0.05    -0.01  -0.01   0.05     0.00   0.00   0.04
     7   6     0.01  -0.00   0.02     0.08   0.01  -0.04     0.01  -0.04  -0.00
     8   6     0.05   0.05   0.02    -0.03  -0.06   0.04    -0.00   0.01  -0.03
     9   8     0.02   0.00  -0.01    -0.02  -0.01  -0.01     0.01   0.00  -0.01
    10   6     0.03   0.05   0.01     0.03   0.00  -0.01     0.02  -0.07   0.01
    11   6     0.03   0.04   0.00     0.05   0.03  -0.00     0.04  -0.07  -0.03
    12   1     0.12   0.37  -0.10     0.03  -0.08   0.16     0.19   0.44  -0.06
    13   1    -0.02  -0.09   0.03    -0.17  -0.47  -0.02    -0.03  -0.08  -0.01
    14   1     0.04   0.03   0.23    -0.11  -0.12   0.03    -0.06  -0.10   0.04
    15   1    -0.04   0.04  -0.25     0.11   0.23   0.27     0.00   0.07  -0.04
    16   1    -0.36  -0.16  -0.04    -0.23  -0.22  -0.11    -0.18  -0.09  -0.03
    17   1     0.25   0.14   0.03    -0.09  -0.10  -0.03     0.26   0.11  -0.02
    18   1    -0.20   0.40  -0.09     0.24   0.02  -0.29     0.18  -0.41   0.07
    19   1    -0.01   0.20   0.10     0.07  -0.01  -0.11    -0.03  -0.05   0.03
    20   1    -0.08   0.09   0.04     0.00  -0.26  -0.14     0.01   0.09   0.05
    21   1    -0.03   0.00  -0.04    -0.02   0.11  -0.05     0.01  -0.04   0.03
    22   1     0.04  -0.12  -0.08     0.05  -0.04  -0.03    -0.07   0.12   0.09
    23   1    -0.15   0.01   0.03     0.01  -0.00  -0.01     0.25  -0.01  -0.15
    24   1     0.14  -0.11  -0.05     0.06  -0.04  -0.02     0.02   0.13  -0.08
    25   1    -0.03  -0.04  -0.10    -0.03   0.04  -0.16     0.03   0.21  -0.07
    26   1    -0.02  -0.10   0.11    -0.05  -0.05   0.12    -0.13   0.13   0.05
    27   1    -0.07   0.04  -0.12    -0.11   0.01  -0.06    -0.08  -0.14   0.28
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1248.4819              1268.2079              1275.5231
 Red. masses --      1.7892                 1.9539                 1.5113
 Frc consts  --      1.6431                 1.8516                 1.4487
 IR Inten    --      1.7872                 0.0451                 3.0669
 RamAct Fr= 1--      5.9074                 1.6160                 6.2792
  Dep-P Fr= 1--      0.5709                 0.5232                 0.7460
  Dep-U Fr= 1--      0.7268                 0.6870                 0.8545
 Alpha2 Fr= 1--      0.0200                 0.0071                 0.0004
 Beta2  Fr= 1--      0.7156                 0.1850                 0.8943
 AlphaG Fr= 1--      0.0264                -0.0060                -0.0025
 Gamma2 Fr= 1--      0.2089                 0.3241                 2.2295
 Delta2 Fr= 1--     -0.8131                 0.4980                 1.0332
 Raman1 Fr= 1--      23.630                  6.464                 25.117
 ROA1   Fr= 1--      -5.965                 47.047                247.091
 CID1   Fr= 1--      -0.252                  7.278                  9.838
 Raman2 Fr= 1--       8.587                  2.220                 10.732
 ROA2   Fr= 1--      11.519                  3.793                 45.242
 CID2   Fr= 1--       1.341                  1.708                  4.216
 Raman3 Fr= 1--      17.175                  4.441                 21.463
 ROA3   Fr= 1--      -5.965                 47.047                247.091
 CID3   Fr= 1--      -0.347                 10.594                 11.512
 RC180  Fr= 1--       0.454                  0.374                  0.709
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07  -0.05   0.17    -0.10  -0.07   0.06    -0.06  -0.04   0.08
     2   6     0.00  -0.05  -0.06     0.02   0.07   0.03     0.11   0.02  -0.03
     3   6    -0.09  -0.05   0.02    -0.01   0.03  -0.04    -0.01  -0.06  -0.00
     4   6     0.03   0.04   0.00     0.00   0.00   0.09    -0.03   0.02   0.03
     5   6     0.02  -0.03  -0.02     0.09   0.05  -0.05    -0.04   0.05  -0.05
     6   6    -0.01   0.03   0.03     0.02  -0.04  -0.02    -0.01   0.01   0.04
     7   6     0.00   0.01  -0.01    -0.15  -0.09  -0.02     0.03  -0.02  -0.00
     8   6     0.00   0.02   0.01    -0.00  -0.02  -0.01    -0.04  -0.01   0.01
     9   8     0.00  -0.01  -0.01     0.02   0.02   0.01    -0.01  -0.00  -0.00
    10   6    -0.03   0.02  -0.07     0.03   0.04  -0.01     0.01   0.01  -0.03
    11   6    -0.04   0.01  -0.05     0.03   0.01  -0.01     0.02   0.01  -0.02
    12   1     0.19   0.41   0.03    -0.02  -0.12   0.03    -0.10  -0.28   0.02
    13   1     0.09   0.21  -0.20    -0.09  -0.16   0.01     0.24   0.62  -0.08
    14   1    -0.16  -0.13  -0.48    -0.10  -0.11  -0.43     0.11   0.14   0.24
    15   1     0.11   0.14   0.27    -0.04  -0.05  -0.05    -0.12  -0.18  -0.33
    16   1    -0.01  -0.02  -0.01     0.30   0.27   0.09    -0.22  -0.10  -0.04
    17   1    -0.12  -0.06   0.00     0.52   0.34   0.12     0.10   0.02  -0.02
    18   1     0.06  -0.05  -0.05     0.06   0.00   0.02     0.03  -0.16   0.05
    19   1     0.01   0.04  -0.00    -0.01  -0.04   0.00     0.04  -0.06  -0.09
    20   1    -0.00   0.02   0.01    -0.01  -0.04  -0.03     0.10  -0.06  -0.02
    21   1     0.01   0.06  -0.00    -0.01  -0.05  -0.01     0.03   0.06   0.05
    22   1     0.25  -0.01  -0.03     0.08  -0.10  -0.07     0.11  -0.04  -0.03
    23   1     0.02  -0.01   0.18    -0.07   0.01   0.03     0.03  -0.00   0.04
    24   1    -0.17  -0.05   0.14     0.09  -0.10  -0.02    -0.00  -0.05   0.01
    25   1     0.02   0.04   0.06    -0.02   0.04  -0.13    -0.01   0.04  -0.09
    26   1     0.05   0.11  -0.17    -0.03   0.00   0.04    -0.02   0.02   0.01
    27   1     0.10   0.04  -0.04    -0.07   0.00  -0.05    -0.05   0.00  -0.03
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1302.5950              1328.2324              1335.7280
 Red. masses --      2.1532                 1.7044                 1.4893
 Frc consts  --      2.1526                 1.7717                 1.5655
 IR Inten    --      8.4663                 1.9652                 1.1022
 RamAct Fr= 1--      3.6693                 5.1595                 2.2978
  Dep-P Fr= 1--      0.7303                 0.6127                 0.7109
  Dep-U Fr= 1--      0.8442                 0.7598                 0.8310
 Alpha2 Fr= 1--      0.0012                 0.0130                 0.0016
 Beta2  Fr= 1--      0.5163                 0.6534                 0.3183
 AlphaG Fr= 1--      0.0180                 0.0009                 0.0122
 Gamma2 Fr= 1--      1.4941                 1.6707                -0.5497
 Delta2 Fr= 1--      1.6088                 1.0295                -0.4540
 Raman1 Fr= 1--      14.677                 20.638                  9.191
 ROA1   Fr= 1--     194.912                193.333                -67.295
 CID1   Fr= 1--      13.280                  9.368                 -7.322
 Raman2 Fr= 1--       6.195                  7.841                  3.819
 ROA2   Fr= 1--      22.987                 31.861                 -9.560
 CID2   Fr= 1--       3.711                  4.064                 -2.503
 Raman3 Fr= 1--      12.390                 15.682                  7.638
 ROA3   Fr= 1--     194.912                193.333                -67.295
 CID3   Fr= 1--      15.731                 12.329                 -8.810
 RC180  Fr= 1--       0.688                  0.520                  0.662
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.13  -0.07   0.03     0.10  -0.05  -0.01     0.02  -0.05   0.02
     2   6    -0.08   0.13   0.06    -0.05   0.02   0.00    -0.02   0.03  -0.01
     3   6     0.04   0.02  -0.04     0.01  -0.03   0.01    -0.00  -0.01   0.03
     4   6     0.03  -0.02   0.10     0.02  -0.00  -0.04    -0.06  -0.06  -0.11
     5   6    -0.07   0.06  -0.11    -0.12   0.07   0.10     0.06   0.09  -0.05
     6   6     0.02  -0.05  -0.02    -0.01   0.02   0.01     0.01  -0.02  -0.01
     7   6     0.07   0.05   0.05    -0.04  -0.07  -0.06    -0.03  -0.01   0.01
     8   6     0.03  -0.03  -0.01     0.02  -0.00   0.00     0.01  -0.01   0.01
     9   8    -0.01   0.00   0.00     0.01   0.00  -0.00     0.00   0.01   0.00
    10   6    -0.03   0.03  -0.01    -0.02   0.01  -0.01    -0.01   0.02  -0.00
    11   6    -0.04   0.01  -0.01    -0.03   0.03  -0.00    -0.01   0.01  -0.00
    12   1     0.01   0.05  -0.07     0.02   0.14  -0.07     0.03   0.08   0.01
    13   1    -0.14  -0.29   0.12     0.04   0.06   0.00     0.01   0.02   0.02
    14   1    -0.07  -0.10  -0.12     0.08   0.07   0.28     0.12   0.10   0.44
    15   1    -0.14  -0.11  -0.41    -0.03   0.06  -0.16     0.15   0.13   0.57
    16   1    -0.38  -0.22  -0.05     0.27   0.16   0.01    -0.05   0.07   0.03
    17   1    -0.01  -0.03  -0.07     0.24   0.12   0.05     0.12   0.10   0.07
    18   1    -0.10  -0.35   0.24     0.59  -0.21  -0.40    -0.14  -0.29   0.45
    19   1    -0.02  -0.04   0.05    -0.00   0.02   0.03     0.01   0.03   0.00
    20   1    -0.12  -0.07  -0.06    -0.06   0.00  -0.01    -0.04  -0.03  -0.02
    21   1    -0.08  -0.15  -0.09    -0.04  -0.04  -0.05    -0.02   0.00  -0.04
    22   1     0.05  -0.02  -0.02     0.00   0.01   0.00     0.04  -0.05  -0.03
    23   1    -0.06   0.00   0.10    -0.02  -0.00   0.07    -0.02   0.01   0.04
    24   1    -0.07  -0.05   0.07    -0.05  -0.04   0.05     0.02  -0.06   0.01
    25   1     0.01  -0.06   0.10     0.01  -0.09   0.09    -0.00  -0.02   0.00
    26   1     0.08  -0.00  -0.12     0.06  -0.07  -0.05     0.03  -0.03  -0.02
    27   1     0.11   0.04  -0.03     0.08   0.04  -0.01     0.03   0.02  -0.02
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1350.1459              1409.5625              1416.5965
 Red. masses --      2.3458                 1.2380                 1.2818
 Frc consts  --      2.5194                 1.4493                 1.5155
 IR Inten    --      5.1502                 6.8337                 6.7660
 RamAct Fr= 1--      6.4823                 0.0671                 0.3840
  Dep-P Fr= 1--      0.4274                 0.4494                 0.1602
  Dep-U Fr= 1--      0.5988                 0.6201                 0.2762
 Alpha2 Fr= 1--      0.0434                 0.0004                 0.0058
 Beta2  Fr= 1--      0.6470                 0.0069                 0.0177
 AlphaG Fr= 1--      0.0116                -0.0037                -0.0025
 Gamma2 Fr= 1--      0.5920                -0.0379                -0.0747
 Delta2 Fr= 1--     -0.4786                 0.0027                -0.0062
 Raman1 Fr= 1--      25.929                  0.268                  1.536
 ROA1   Fr= 1--      41.513                 -3.552                 -7.366
 CID1   Fr= 1--       1.601                -13.241                 -4.795
 Raman2 Fr= 1--       7.764                  0.083                  0.212
 ROA2   Fr= 1--      18.035                 -0.931                 -1.742
 CID2   Fr= 1--       2.323                -11.189                 -8.213
 Raman3 Fr= 1--      15.527                  0.166                  0.424
 ROA3   Fr= 1--      41.513                 -3.552                 -7.366
 CID3   Fr= 1--       2.674                -21.353                -17.361
 RC180  Fr= 1--       0.198                  0.240                 -0.448
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05  -0.03  -0.08     0.02   0.00  -0.02     0.00  -0.01   0.00
     2   6     0.02   0.20   0.15    -0.01   0.00   0.01     0.00   0.04   0.02
     3   6    -0.05  -0.14  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     4   6     0.01   0.03  -0.03     0.00   0.00  -0.00     0.00  -0.00   0.00
     5   6     0.00  -0.06   0.03    -0.01  -0.00   0.01    -0.00  -0.00  -0.00
     6   6     0.02  -0.08  -0.07     0.00  -0.00  -0.00     0.01  -0.00  -0.00
     7   6     0.01   0.03   0.01     0.00  -0.00  -0.01     0.00   0.00   0.00
     8   6    -0.01  -0.04  -0.05     0.00  -0.00  -0.01    -0.02  -0.13  -0.06
     9   8    -0.00   0.01   0.01    -0.00  -0.00   0.00    -0.01  -0.00   0.00
    10   6     0.03   0.01   0.02    -0.10   0.02   0.04    -0.02   0.01   0.01
    11   6     0.02   0.01   0.03    -0.00  -0.05   0.08    -0.00   0.02  -0.03
    12   1     0.26   0.62  -0.11     0.03   0.01   0.01     0.00   0.01  -0.01
    13   1     0.15   0.43  -0.05    -0.02   0.01   0.04    -0.00  -0.01  -0.00
    14   1    -0.01   0.01  -0.02    -0.03  -0.02   0.02    -0.01  -0.01  -0.01
    15   1     0.04   0.03   0.05     0.01  -0.03  -0.01    -0.00  -0.01  -0.01
    16   1     0.05  -0.04   0.00    -0.02   0.04   0.00     0.00  -0.03  -0.00
    17   1    -0.06  -0.02  -0.02    -0.03  -0.00   0.06     0.00  -0.00  -0.02
    18   1    -0.10   0.23  -0.11     0.01   0.01  -0.02    -0.00  -0.01  -0.00
    19   1    -0.05  -0.15   0.02    -0.03   0.01   0.04    -0.14   0.54   0.12
    20   1    -0.01  -0.04  -0.04    -0.02   0.01   0.00     0.07   0.34   0.36
    21   1    -0.02  -0.18   0.02     0.02   0.01   0.02     0.31   0.43   0.13
    22   1    -0.12  -0.05  -0.03     0.37  -0.16   0.01     0.07  -0.03  -0.00
    23   1    -0.13   0.00  -0.07     0.42   0.09  -0.11     0.10   0.02   0.01
    24   1     0.03   0.02   0.00     0.30  -0.18  -0.29     0.07  -0.08  -0.06
    25   1    -0.03  -0.05  -0.07    -0.13   0.19  -0.25     0.04  -0.07   0.09
    26   1     0.00  -0.01   0.04     0.11   0.28  -0.22    -0.02  -0.15   0.08
    27   1    -0.08   0.01  -0.08     0.01   0.05  -0.37     0.03  -0.01   0.15
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1430.9992              1462.3304              1485.5140
 Red. masses --      1.2098                 1.0861                 1.0531
 Frc consts  --      1.4596                 1.3684                 1.3692
 IR Inten    --     11.1322                12.1873                 3.9119
 RamAct Fr= 1--      0.6284                 8.4645                 2.7434
  Dep-P Fr= 1--      0.1762                 0.6567                 0.7498
  Dep-U Fr= 1--      0.2996                 0.7928                 0.8570
 Alpha2 Fr= 1--      0.0091                 0.0141                 0.0000
 Beta2  Fr= 1--      0.0314                 1.1184                 0.3919
 AlphaG Fr= 1--     -0.0206                 0.0253                -0.0006
 Gamma2 Fr= 1--      0.0078                 1.4669                 0.9163
 Delta2 Fr= 1--      0.0471                 0.9771                 0.1881
 Raman1 Fr= 1--       2.514                 33.858                 10.973
 ROA1   Fr= 1--       2.255                172.087                 93.984
 CID1   Fr= 1--       0.897                  5.083                  8.565
 Raman2 Fr= 1--       0.377                 13.421                  4.702
 ROA2   Fr= 1--      -0.190                 27.389                 20.487
 CID2   Fr= 1--      -0.505                  2.041                  4.357
 Raman3 Fr= 1--       0.753                 26.842                  9.405
 ROA3   Fr= 1--       2.255                172.087                 93.984
 CID3   Fr= 1--       2.995                  6.411                  9.993
 RC180  Fr= 1--      -0.401                  0.586                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.01  -0.01   0.01
     2   6     0.00  -0.00   0.01    -0.00   0.01   0.01    -0.00  -0.00   0.01
     3   6    -0.01  -0.01  -0.01    -0.00  -0.00  -0.00    -0.01  -0.01  -0.03
     4   6     0.00   0.01  -0.00     0.01   0.02   0.00    -0.01  -0.01   0.00
     5   6     0.01  -0.01   0.00    -0.01  -0.01  -0.00     0.00  -0.00  -0.00
     6   6    -0.00  -0.00  -0.01     0.00  -0.01  -0.01     0.00   0.00  -0.00
     7   6    -0.01   0.01   0.01     0.05  -0.04  -0.05     0.00  -0.00  -0.00
     8   6     0.00   0.04   0.01    -0.00   0.00   0.00    -0.00  -0.01   0.02
     9   8     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    10   6    -0.08   0.02   0.03    -0.00   0.00   0.01    -0.00  -0.03   0.01
    11   6    -0.00   0.05  -0.08    -0.01   0.00  -0.02    -0.01   0.02   0.01
    12   1     0.04   0.01   0.03     0.01   0.01   0.01     0.20  -0.03   0.18
    13   1    -0.01   0.04   0.03    -0.00   0.01   0.01    -0.12   0.09   0.25
    14   1    -0.03  -0.01  -0.01    -0.11  -0.06   0.02     0.10   0.06  -0.05
    15   1     0.01  -0.02   0.01     0.03  -0.12  -0.01    -0.03   0.12  -0.02
    16   1     0.07  -0.09  -0.00    -0.36   0.54   0.03    -0.03   0.03   0.00
    17   1     0.01  -0.01  -0.12    -0.18   0.02   0.63    -0.01   0.00   0.04
    18   1    -0.03   0.04  -0.01    -0.01   0.02  -0.02     0.00   0.01  -0.01
    19   1     0.04  -0.15  -0.04     0.01  -0.01  -0.02     0.15   0.01  -0.22
    20   1     0.02  -0.12  -0.12     0.02  -0.00  -0.00     0.04   0.13   0.14
    21   1    -0.09  -0.17  -0.01    -0.02  -0.03  -0.01    -0.14   0.04  -0.21
    22   1     0.30  -0.12   0.00     0.01  -0.06  -0.03     0.29   0.19   0.16
    23   1     0.34   0.07  -0.06     0.01   0.02  -0.08    -0.26  -0.05  -0.01
    24   1     0.24  -0.16  -0.23    -0.01   0.01   0.01     0.06   0.37  -0.25
    25   1     0.13  -0.23   0.26     0.06   0.11   0.11    -0.12  -0.09  -0.22
    26   1    -0.09  -0.34   0.22    -0.06  -0.13   0.11     0.23  -0.16  -0.15
    27   1     0.01  -0.05   0.42     0.16   0.02   0.04     0.07  -0.00   0.16
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1489.5300              1493.7232              1498.9674
 Red. masses --      1.0481                 1.0511                 1.0556
 Frc consts  --      1.3700                 1.3817                 1.3975
 IR Inten    --      6.7730                 5.9657                 4.0733
 RamAct Fr= 1--      9.1706                 4.2025                 1.6753
  Dep-P Fr= 1--      0.7329                 0.6956                 0.7453
  Dep-U Fr= 1--      0.8458                 0.8205                 0.8540
 Alpha2 Fr= 1--      0.0027                 0.0040                 0.0001
 Beta2  Fr= 1--      1.2928                 0.5747                 0.2385
 AlphaG Fr= 1--      0.0083                 0.0047                 0.0017
 Gamma2 Fr= 1--     -2.6423                 0.6264                -1.9494
 Delta2 Fr= 1--     -0.9416                 0.1753                -0.6737
 Raman1 Fr= 1--      36.682                 16.810                  6.701
 ROA1   Fr= 1--    -283.796                 65.747               -208.701
 CID1   Fr= 1--      -7.737                  3.911                -31.143
 Raman2 Fr= 1--      15.514                  6.896                  2.862
 ROA2   Fr= 1--     -55.883                 13.631                -41.397
 CID2   Fr= 1--      -3.602                  1.977                -14.466
 Raman3 Fr= 1--      31.027                 13.792                  5.723
 ROA3   Fr= 1--    -283.796                 65.747               -208.701
 CID3   Fr= 1--      -9.147                  4.767                -36.466
 RC180  Fr= 1--       0.692                  0.641                  0.708
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00   0.00   0.01     0.00  -0.00  -0.01
     2   6    -0.00   0.00  -0.02    -0.02   0.00  -0.01    -0.02   0.00   0.00
     3   6    -0.00  -0.00  -0.00     0.00   0.00   0.01    -0.00  -0.01  -0.03
     4   6    -0.00  -0.01   0.00     0.01   0.01  -0.01    -0.01  -0.03   0.01
     5   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     6   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     7   6     0.01  -0.01  -0.01    -0.01   0.00   0.00     0.00   0.00  -0.00
     8   6     0.00   0.02  -0.03    -0.04   0.02  -0.01    -0.03  -0.00   0.01
     9   8    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    10   6    -0.01  -0.01  -0.03     0.01   0.00   0.02    -0.00   0.01  -0.02
    11   6     0.01   0.02   0.01    -0.02   0.00   0.01     0.01  -0.02  -0.01
    12   1     0.04  -0.01   0.05    -0.06   0.02  -0.06     0.20  -0.02   0.17
    13   1    -0.03   0.01   0.06     0.02  -0.05  -0.06    -0.11   0.06   0.24
    14   1     0.10   0.05  -0.05    -0.10  -0.05   0.05     0.23   0.12  -0.10
    15   1    -0.03   0.11  -0.01     0.03  -0.10   0.02    -0.08   0.26  -0.04
    16   1    -0.08   0.12   0.01     0.04  -0.06  -0.00    -0.01   0.02   0.00
    17   1    -0.04   0.01   0.13     0.03   0.00  -0.06    -0.01  -0.00   0.03
    18   1    -0.01  -0.00  -0.00     0.01  -0.01   0.00    -0.01   0.01  -0.00
    19   1    -0.24   0.04   0.33     0.01   0.33  -0.06     0.16   0.23  -0.26
    20   1     0.01  -0.23  -0.23     0.51  -0.17  -0.07     0.39   0.00   0.08
    21   1     0.24  -0.11   0.38     0.06  -0.36   0.31    -0.11  -0.22   0.00
    22   1     0.01   0.31   0.16     0.02  -0.17  -0.08    -0.16   0.10   0.01
    23   1    -0.02  -0.06   0.33    -0.06   0.03  -0.23     0.14  -0.02   0.25
    24   1     0.11  -0.04  -0.13    -0.09   0.11   0.06     0.05  -0.25   0.05
    25   1    -0.06  -0.27  -0.11    -0.10   0.08  -0.18     0.10   0.11   0.18
    26   1     0.11   0.04  -0.11     0.19  -0.18  -0.11    -0.19   0.14   0.13
    27   1    -0.21  -0.05   0.11     0.21   0.03   0.10    -0.03   0.01  -0.17
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1504.1911              1513.6522              1518.6476
 Red. masses --      1.0554                 1.0668                 1.0677
 Frc consts  --      1.4069                 1.4401                 1.4508
 IR Inten    --      3.8045                 0.4354                 6.1576
 RamAct Fr= 1--      2.4147                 4.3220                 2.0516
  Dep-P Fr= 1--      0.7426                 0.7088                 0.7103
  Dep-U Fr= 1--      0.8523                 0.8296                 0.8306
 Alpha2 Fr= 1--      0.0003                 0.0031                 0.0014
 Beta2  Fr= 1--      0.3430                 0.5976                 0.2840
 AlphaG Fr= 1--      0.0066                -0.0076                 0.0086
 Gamma2 Fr= 1--     -0.1430                 1.4729                 0.8485
 Delta2 Fr= 1--     -0.2965                 0.7394                 0.3408
 Raman1 Fr= 1--       9.659                 17.288                  8.206
 ROA1   Fr= 1--     -23.212                165.060                 92.361
 CID1   Fr= 1--      -2.403                  9.548                 11.255
 Raman2 Fr= 1--       4.116                  7.171                  3.408
 ROA2   Fr= 1--      -1.059                 29.434                 17.637
 CID2   Fr= 1--      -0.257                  4.105                  5.175
 Raman3 Fr= 1--       8.232                 14.342                  6.817
 ROA3   Fr= 1--     -23.212                165.060                 92.361
 CID3   Fr= 1--      -2.820                 11.509                 13.550
 RC180  Fr= 1--       0.705                  0.659                  0.661
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.02   0.01    -0.03   0.02  -0.01     0.01   0.03   0.01
     2   6     0.01  -0.00  -0.02     0.01   0.00   0.00     0.00  -0.01  -0.01
     3   6    -0.01  -0.01  -0.03    -0.00  -0.00   0.01    -0.01  -0.00  -0.05
     4   6    -0.01  -0.01  -0.00    -0.01  -0.03   0.01     0.00   0.01  -0.01
     5   6    -0.00   0.00   0.00     0.00  -0.01  -0.00    -0.00  -0.00   0.00
     6   6     0.00   0.01   0.00    -0.00  -0.00   0.00     0.00   0.01   0.00
     7   6    -0.01   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     8   6     0.01   0.01  -0.02     0.01   0.00  -0.00     0.01   0.00  -0.00
     9   8    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    10   6     0.00  -0.01   0.02     0.01   0.01  -0.02     0.01   0.02   0.01
    11   6    -0.01  -0.02  -0.02    -0.04  -0.00   0.02     0.01   0.02   0.01
    12   1     0.20  -0.06   0.20    -0.02   0.00  -0.01     0.31  -0.08   0.29
    13   1    -0.11   0.09   0.25     0.02   0.00  -0.03    -0.18   0.12   0.38
    14   1     0.13   0.07  -0.05     0.21   0.11  -0.10    -0.09  -0.04   0.04
    15   1    -0.04   0.16  -0.02    -0.07   0.24  -0.05     0.03  -0.10   0.01
    16   1     0.05  -0.07  -0.01    -0.00  -0.03  -0.00    -0.01   0.03   0.00
    17   1     0.02  -0.00  -0.08    -0.00  -0.01  -0.01    -0.01  -0.00   0.02
    18   1     0.01   0.00  -0.01    -0.02   0.02  -0.01     0.02  -0.01  -0.01
    19   1    -0.19  -0.05   0.28    -0.04  -0.13   0.07    -0.03  -0.03   0.05
    20   1    -0.14  -0.12  -0.15    -0.17   0.00  -0.03    -0.08   0.01  -0.01
    21   1     0.18   0.04   0.21     0.01   0.09  -0.04     0.03   0.06  -0.00
    22   1     0.15  -0.12  -0.03    -0.22   0.01  -0.05    -0.22  -0.30  -0.20
    23   1    -0.17   0.01  -0.25     0.19   0.00   0.16     0.14   0.06  -0.21
    24   1    -0.06   0.25  -0.04     0.02  -0.29   0.12    -0.15  -0.17   0.27
    25   1     0.11   0.32   0.20    -0.12   0.27  -0.23    -0.08  -0.27  -0.14
    26   1    -0.19  -0.02   0.18     0.24  -0.37  -0.08     0.14   0.04  -0.15
    27   1     0.24   0.07  -0.16     0.47   0.07   0.16    -0.20  -0.06   0.14
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1527.4122              1817.0273              3033.6406
 Red. masses --      1.0784                12.5045                 1.0390
 Frc consts  --      1.4823                24.3243                 5.6335
 IR Inten    --      6.1613               250.4366                12.7168
 RamAct Fr= 1--      5.4816                21.1302                 9.1678
  Dep-P Fr= 1--      0.5516                 0.6361                 0.7404
  Dep-U Fr= 1--      0.7110                 0.7775                 0.8508
 Alpha2 Fr= 1--      0.0208                 0.0436                 0.0015
 Beta2  Fr= 1--      0.6496                 2.7383                 1.3000
 AlphaG Fr= 1--      0.0082                 0.0896                -0.0170
 Gamma2 Fr= 1--     -1.4413                 1.3566                 1.8954
 Delta2 Fr= 1--     -0.6671                 1.2514                 0.5435
 Raman1 Fr= 1--      21.926                 84.521                 36.671
 ROA1   Fr= 1--    -159.709                170.281                199.349
 CID1   Fr= 1--      -7.284                  2.015                  5.436
 Raman2 Fr= 1--       7.795                 32.860                 15.600
 ROA2   Fr= 1--     -29.254                 22.548                 41.141
 CID2   Fr= 1--      -3.753                  0.686                  2.637
 Raman3 Fr= 1--      15.589                 65.719                 31.200
 ROA3   Fr= 1--    -159.709                170.281                199.349
 CID3   Fr= 1--     -10.245                  2.591                  6.389
 RC180  Fr= 1--       0.422                  0.555                  0.702
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01   0.01    -0.03  -0.00  -0.00    -0.00  -0.00   0.00
     2   6    -0.00   0.00   0.00    -0.03  -0.01   0.00     0.00   0.00  -0.00
     3   6     0.00   0.00   0.03    -0.01  -0.01   0.01    -0.00   0.00   0.00
     4   6    -0.02  -0.05   0.03     0.00   0.00  -0.00    -0.00  -0.00   0.00
     5   6    -0.00  -0.01  -0.01    -0.02  -0.01  -0.01     0.00  -0.00  -0.00
     6   6     0.00  -0.00  -0.00     0.77   0.26  -0.01     0.00  -0.00   0.00
     7   6     0.01  -0.00  -0.01    -0.04  -0.01   0.00    -0.00   0.00   0.00
     8   6    -0.00  -0.00   0.00     0.01   0.01   0.00    -0.00   0.00   0.00
     9   8     0.00   0.00   0.00    -0.50  -0.17   0.01     0.00  -0.00   0.00
    10   6    -0.00   0.01   0.03     0.00  -0.00   0.00     0.04  -0.01   0.00
    11   6     0.01   0.01  -0.00     0.00  -0.00  -0.00    -0.01   0.02  -0.03
    12   1    -0.16   0.03  -0.15    -0.03   0.06  -0.04     0.01  -0.01  -0.01
    13   1     0.09  -0.07  -0.20     0.04   0.02  -0.04    -0.01   0.00  -0.01
    14   1     0.41   0.21  -0.20     0.01   0.01   0.01    -0.01   0.01  -0.00
    15   1    -0.15   0.48  -0.08    -0.01   0.01  -0.01     0.02   0.00  -0.01
    16   1    -0.07   0.09   0.00     0.05   0.07   0.02     0.00   0.01  -0.04
    17   1    -0.04  -0.00   0.11     0.08   0.06   0.04     0.01  -0.01   0.00
    18   1    -0.01  -0.02   0.01    -0.04  -0.02  -0.01     0.00   0.00   0.00
    19   1     0.01   0.01  -0.02     0.05  -0.01  -0.03    -0.01  -0.00  -0.01
    20   1     0.01   0.01   0.01     0.04  -0.01  -0.03     0.00   0.00  -0.00
    21   1    -0.01  -0.00  -0.01    -0.06  -0.10  -0.03     0.02  -0.01  -0.02
    22   1     0.08  -0.28  -0.12    -0.00   0.00   0.00    -0.02  -0.11   0.21
    23   1     0.00   0.06  -0.33     0.00   0.00   0.00    -0.04   0.41   0.06
    24   1    -0.08   0.10   0.06     0.01  -0.00  -0.01    -0.36  -0.16  -0.33
    25   1    -0.01  -0.22  -0.02     0.01   0.03   0.00    -0.27   0.02   0.12
    26   1     0.02   0.09  -0.06    -0.02  -0.02   0.02     0.34   0.17   0.33
    27   1    -0.22  -0.05   0.06     0.02   0.00   0.00     0.08  -0.39  -0.08
                     61                     62                     63
                      A                      A                      A
 Frequencies --   3037.2951              3040.4579              3056.8487
 Red. masses --      1.0368                 1.0381                 1.0593
 Frc consts  --      5.6353                 5.6540                 5.8321
 IR Inten    --     20.1726                40.3743                25.9292
 RamAct Fr= 1--     12.8566               390.5290                75.8022
  Dep-P Fr= 1--      0.6336                 0.0142                 0.3416
  Dep-U Fr= 1--      0.7757                 0.0280                 0.5093
 Alpha2 Fr= 1--      0.0271                 8.3948                 0.6836
 Beta2  Fr= 1--      1.6622                 1.8233                 6.4343
 AlphaG Fr= 1--      0.0396                 0.4924                -0.6451
 Gamma2 Fr= 1--      2.1790                 0.5861                 4.9480
 Delta2 Fr= 1--      1.4029                -1.3208                -4.6455
 Raman1 Fr= 1--      51.426               1562.116                303.209
 ROA1   Fr= 1--     254.076                 14.004                326.354
 CID1   Fr= 1--       4.941                  0.009                  1.076
 Raman2 Fr= 1--      19.947                 21.880                 77.212
 ROA2   Fr= 1--      41.072                 24.633                155.917
 CID2   Fr= 1--       2.059                  1.126                  2.019
 Raman3 Fr= 1--      39.893                 43.760                154.423
 ROA3   Fr= 1--     254.076                 14.004                326.354
 CID3   Fr= 1--       6.369                  0.320                  2.113
 RC180  Fr= 1--       0.551                 -0.944                  0.019
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     2   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     3   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.01    -0.01  -0.01  -0.06
     4   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.01  -0.03   0.01
     5   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     6   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     7   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
     8   6    -0.00   0.04   0.02     0.00   0.03   0.01    -0.00  -0.00  -0.00
     9   8    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    10   6     0.02  -0.01   0.00    -0.03   0.01  -0.00     0.00  -0.00   0.00
    11   6     0.01  -0.01   0.02    -0.01   0.01  -0.02    -0.00   0.00   0.00
    12   1    -0.02   0.01   0.02    -0.05   0.03   0.05    -0.39   0.22   0.42
    13   1     0.02  -0.01   0.01     0.05  -0.01   0.02     0.51  -0.16   0.25
    14   1    -0.01   0.01  -0.00     0.01  -0.01   0.00    -0.22   0.33  -0.03
    15   1     0.02   0.00  -0.01    -0.02  -0.00   0.01     0.29   0.05  -0.10
    16   1    -0.00  -0.00   0.03     0.00   0.01  -0.04    -0.00  -0.00   0.01
    17   1    -0.01   0.01  -0.00     0.01  -0.02   0.01     0.01  -0.03   0.01
    18   1     0.01   0.01   0.01    -0.02  -0.01  -0.02    -0.03  -0.03  -0.03
    19   1    -0.33   0.00  -0.22    -0.28   0.00  -0.18     0.03   0.00   0.02
    20   1    -0.06  -0.27   0.32    -0.04  -0.22   0.26     0.01   0.03  -0.04
    21   1     0.39  -0.14  -0.28     0.32  -0.12  -0.23    -0.03   0.01   0.02
    22   1    -0.02  -0.07   0.13     0.02   0.09  -0.17    -0.00  -0.00   0.00
    23   1    -0.03   0.26   0.04     0.03  -0.30  -0.05    -0.00   0.02   0.00
    24   1    -0.22  -0.10  -0.20     0.30   0.13   0.27    -0.02  -0.01  -0.01
    25   1     0.18  -0.01  -0.08    -0.22   0.02   0.10     0.01  -0.00  -0.00
    26   1    -0.21  -0.11  -0.21     0.26   0.13   0.25    -0.01  -0.00  -0.01
    27   1    -0.05   0.26   0.05     0.05  -0.27  -0.06    -0.00   0.00   0.00
                     64                     65                     66
                      A                      A                      A
 Frequencies --   3063.1629              3065.3348              3084.3553
 Red. masses --      1.0612                 1.0625                 1.1007
 Frc consts  --      5.8665                 5.8822                 6.1693
 IR Inten    --     14.2941                29.8651                 9.9683
 RamAct Fr= 1--     64.7157               254.9747                94.1798
  Dep-P Fr= 1--      0.2166                 0.0572                 0.1896
  Dep-U Fr= 1--      0.3561                 0.1083                 0.3188
 Alpha2 Fr= 1--      0.8407                 4.9503                 1.3145
 Beta2  Fr= 1--      3.8407                 4.6013                 5.0041
 AlphaG Fr= 1--      0.1534                -1.0460                -0.8924
 Gamma2 Fr= 1--     -3.8755                -6.6975               -17.1118
 Delta2 Fr= 1--     -4.2856                -0.6454               -12.4348
 Raman1 Fr= 1--     258.863               1019.899                376.719
 ROA1   Fr= 1--    -509.190               -663.609              -2040.651
 CID1   Fr= 1--      -1.967                 -0.651                 -5.417
 Raman2 Fr= 1--      46.089                 55.216                 60.049
 ROA2   Fr= 1--     -58.728               -155.576               -311.205
 CID2   Fr= 1--      -1.274                 -2.818                 -5.183
 Raman3 Fr= 1--      92.178                110.432                120.097
 ROA3   Fr= 1--    -509.190               -663.609              -2040.651
 CID3   Fr= 1--      -5.524                 -6.009                -16.992
 RC180  Fr= 1--      -0.288                 -0.783                 -0.362
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     2   6    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     3   6     0.00  -0.00  -0.01     0.00   0.01   0.03    -0.05   0.02   0.01
     4   6    -0.00   0.02  -0.00    -0.01  -0.05   0.02     0.05  -0.02  -0.01
     5   6     0.01   0.01   0.01     0.02   0.01   0.01    -0.03  -0.02  -0.03
     6   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     7   6     0.03  -0.04  -0.04     0.01  -0.01  -0.01     0.01  -0.01  -0.00
     8   6    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     9   8     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    10   6     0.00  -0.00   0.00    -0.00   0.00  -0.01    -0.00  -0.00  -0.00
    11   6    -0.01   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.01   0.00
    12   1    -0.08   0.04   0.08     0.24  -0.14  -0.26     0.27  -0.16  -0.32
    13   1     0.07  -0.02   0.03    -0.26   0.08  -0.12     0.37  -0.11   0.20
    14   1     0.11  -0.18   0.01    -0.34   0.51  -0.04    -0.21   0.34  -0.04
    15   1    -0.09  -0.01   0.03     0.46   0.08  -0.16    -0.34  -0.07   0.12
    16   1    -0.05  -0.12   0.60    -0.02  -0.03   0.17    -0.01  -0.02   0.08
    17   1    -0.35   0.60  -0.17    -0.06   0.11  -0.03    -0.07   0.12  -0.03
    18   1    -0.09  -0.07  -0.09    -0.18  -0.14  -0.17     0.32   0.25   0.31
    19   1     0.00   0.00   0.00    -0.01  -0.00  -0.01    -0.03   0.00  -0.02
    20   1     0.00   0.00  -0.00    -0.00  -0.02   0.02    -0.00  -0.01   0.01
    21   1     0.00  -0.00  -0.00     0.02  -0.01  -0.01    -0.02   0.00   0.01
    22   1     0.00   0.00  -0.01    -0.01  -0.02   0.03     0.00   0.01  -0.01
    23   1    -0.00   0.01   0.00     0.00  -0.02  -0.01    -0.00   0.02   0.00
    24   1    -0.00  -0.00  -0.00     0.05   0.02   0.04     0.03   0.01   0.02
    25   1     0.04  -0.00  -0.02     0.01  -0.00  -0.01    -0.01   0.00   0.01
    26   1     0.05   0.03   0.05     0.02   0.01   0.02    -0.03  -0.01  -0.03
    27   1     0.01  -0.04  -0.01    -0.00  -0.01  -0.00     0.02  -0.08  -0.02
                     67                     68                     69
                      A                      A                      A
 Frequencies --   3084.5337              3087.8871              3091.7323
 Red. masses --      1.1005                 1.0917                 1.0996
 Frc consts  --      6.1693                 6.1329                 6.1926
 IR Inten    --      2.0292                24.8164                53.5781
 RamAct Fr= 1--     18.3569               211.7897               116.9238
  Dep-P Fr= 1--      0.5846                 0.1137                 0.7478
  Dep-U Fr= 1--      0.7379                 0.2042                 0.8557
 Alpha2 Fr= 1--      0.0568                 3.5852                 0.0044
 Beta2  Fr= 1--      2.2574                 7.2080                16.6752
 AlphaG Fr= 1--     -0.0365                 1.9691                -0.0412
 Gamma2 Fr= 1--     -1.0391                35.0958                -2.1901
 Delta2 Fr= 1--     -3.5279                14.8717                 0.1226
 Raman1 Fr= 1--      73.428                847.159                467.695
 ROA1   Fr= 1--    -212.649               3845.093               -206.327
 CID1   Fr= 1--      -2.896                  4.539                 -0.441
 Raman2 Fr= 1--      27.089                 86.496                200.102
 ROA2   Fr= 1--       3.284                723.326                -53.543
 CID2   Fr= 1--       0.121                  8.363                 -0.268
 Raman3 Fr= 1--      54.179                172.992                400.205
 ROA3   Fr= 1--    -212.649               3845.093               -206.327
 CID3   Fr= 1--      -3.925                 22.227                 -0.516
 RC180  Fr= 1--       0.476                 -0.592                  0.711
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     2   6     0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     3   6     0.00  -0.00  -0.00     0.04  -0.02  -0.00    -0.00  -0.00  -0.00
     4   6    -0.00   0.00  -0.00    -0.03  -0.01   0.01     0.00  -0.00   0.00
     5   6     0.00   0.00   0.00    -0.04  -0.03  -0.04    -0.01  -0.00  -0.01
     6   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     7   6    -0.00   0.00  -0.00     0.01  -0.01   0.00    -0.00   0.00  -0.00
     8   6    -0.01  -0.00   0.01    -0.00  -0.00   0.00    -0.00   0.00  -0.01
     9   8     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    10   6    -0.02  -0.06  -0.04    -0.00   0.00  -0.00    -0.01  -0.04  -0.02
    11   6     0.01   0.04   0.02     0.00   0.01   0.00    -0.03  -0.06  -0.04
    12   1    -0.02   0.01   0.02    -0.16   0.09   0.19    -0.00   0.00   0.00
    13   1    -0.02   0.01  -0.01    -0.33   0.10  -0.17     0.01  -0.00   0.00
    14   1     0.02  -0.03   0.00    -0.01   0.00   0.00    -0.01   0.01  -0.00
    15   1     0.00   0.00  -0.00     0.34   0.06  -0.12     0.00   0.00  -0.00
    16   1     0.00  -0.00   0.00    -0.00  -0.00   0.01    -0.00  -0.00   0.01
    17   1     0.01  -0.02   0.00    -0.10   0.17  -0.04     0.01  -0.01   0.00
    18   1    -0.04  -0.03  -0.04     0.48   0.37   0.47     0.07   0.06   0.07
    19   1     0.03  -0.00   0.02    -0.01  -0.00  -0.00     0.08   0.00   0.05
    20   1     0.01   0.07  -0.08     0.00   0.02  -0.02    -0.01  -0.05   0.05
    21   1     0.07  -0.03  -0.05     0.03  -0.01  -0.02    -0.02   0.01   0.01
    22   1    -0.01  -0.05   0.05    -0.00   0.00  -0.00    -0.01  -0.03   0.04
    23   1    -0.08   0.64   0.09     0.01  -0.04  -0.01    -0.05   0.38   0.05
    24   1     0.39   0.15   0.34     0.01   0.00   0.01     0.23   0.09   0.20
    25   1    -0.02   0.01   0.02    -0.03   0.00   0.02     0.07  -0.02  -0.04
    26   1    -0.22  -0.10  -0.21    -0.03  -0.01  -0.03     0.37   0.17   0.36
    27   1     0.08  -0.36  -0.07     0.02  -0.07  -0.01    -0.13   0.61   0.12
                     70                     71                     72
                      A                      A                      A
 Frequencies --   3098.4690              3100.5104              3103.7955
 Red. masses --      1.1038                 1.1016                 1.1014
 Frc consts  --      6.2437                 6.2392                 6.2514
 IR Inten    --      2.0379                14.7789                 9.8439
 RamAct Fr= 1--     42.9961                76.4817                85.7656
  Dep-P Fr= 1--      0.7371                 0.6882                 0.7400
  Dep-U Fr= 1--      0.8487                 0.8153                 0.8506
 Alpha2 Fr= 1--      0.0095                 0.0829                 0.0145
 Beta2  Fr= 1--      6.0815                10.3928                12.1587
 AlphaG Fr= 1--     -0.0698                -0.1160                -0.1059
 Gamma2 Fr= 1--    -19.1669               -20.1759                19.3968
 Delta2 Fr= 1--      2.6071                -5.3829                10.1860
 Raman1 Fr= 1--     171.984                305.927                343.062
 ROA1   Fr= 1--   -1756.597              -2109.143               2188.048
 CID1   Fr= 1--     -10.214                 -6.894                  6.378
 Raman2 Fr= 1--      72.978                124.714                145.905
 ROA2   Fr= 1--    -480.863               -441.159                384.036
 CID2   Fr= 1--      -6.589                 -3.537                  2.632
 Raman3 Fr= 1--     145.955                249.427                291.809
 ROA3   Fr= 1--   -1756.597              -2109.143               2188.048
 CID3   Fr= 1--     -12.035                 -8.456                  7.498
 RC180  Fr= 1--       0.697                  0.631                  0.701
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     2   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     3   6     0.02  -0.01  -0.00    -0.00   0.00   0.00     0.02  -0.01  -0.00
     4   6     0.03  -0.01  -0.01     0.01  -0.00  -0.00     0.02  -0.01  -0.00
     5   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     6   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
     7   6    -0.02   0.05  -0.06     0.00  -0.01   0.02     0.00  -0.00   0.00
     8   6    -0.01  -0.00   0.02    -0.08  -0.01   0.04    -0.04   0.03  -0.07
     9   8    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    10   6     0.00  -0.00   0.01     0.00   0.01   0.01     0.00  -0.00   0.01
    11   6    -0.03   0.01   0.01     0.01  -0.01  -0.01     0.01   0.01   0.00
    12   1    -0.10   0.06   0.12     0.01  -0.00  -0.01    -0.08   0.05   0.10
    13   1    -0.18   0.05  -0.09     0.01  -0.00   0.01    -0.11   0.03  -0.06
    14   1    -0.09   0.15  -0.01    -0.03   0.05  -0.01    -0.08   0.13  -0.01
    15   1    -0.22  -0.05   0.08    -0.07  -0.01   0.02    -0.16  -0.03   0.06
    16   1    -0.06  -0.10   0.59     0.02   0.03  -0.18     0.00   0.00  -0.01
    17   1     0.26  -0.45   0.10    -0.08   0.14  -0.03    -0.01   0.02  -0.01
    18   1     0.05   0.04   0.05    -0.03  -0.02  -0.03    -0.02  -0.01  -0.01
    19   1     0.02  -0.00   0.02     0.32   0.00   0.24     0.58   0.01   0.38
    20   1     0.02   0.11  -0.12     0.05   0.32  -0.36    -0.09  -0.41   0.47
    21   1     0.13  -0.05  -0.09     0.55  -0.22  -0.40    -0.00   0.00  -0.02
    22   1     0.01   0.04  -0.08     0.00   0.01  -0.02     0.01   0.03  -0.06
    23   1     0.00  -0.02  -0.00     0.01  -0.08  -0.01    -0.00   0.01   0.00
    24   1    -0.03  -0.01  -0.03    -0.04  -0.02  -0.04    -0.02  -0.01  -0.02
    25   1     0.28  -0.02  -0.13    -0.08   0.00   0.03    -0.06   0.01   0.03
    26   1     0.07   0.04   0.08     0.01   0.00   0.01    -0.06  -0.03  -0.06
    27   1     0.01  -0.11  -0.02    -0.02   0.11   0.02     0.02  -0.07  -0.01
                     73                     74                     75
                      A                      A                      A
 Frequencies --   3105.3045              3113.1033              3127.4724
 Red. masses --      1.1041                 1.0986                 1.0960
 Frc consts  --      6.2730                 6.2728                 6.3158
 IR Inten    --     70.7487                20.2371                26.3282
 RamAct Fr= 1--     86.5446                56.7699                59.2414
  Dep-P Fr= 1--      0.7390                 0.6654                 0.5711
  Dep-U Fr= 1--      0.8499                 0.7991                 0.7270
 Alpha2 Fr= 1--      0.0163                 0.0855                 0.1998
 Beta2  Fr= 1--     12.2589                 7.5606                 7.1785
 AlphaG Fr= 1--     -0.0591                -0.1893                -0.1744
 Gamma2 Fr= 1--    -15.6722                26.8445                -2.9976
 Delta2 Fr= 1--     -8.3679                 7.5143                 0.7707
 Raman1 Fr= 1--     346.178                227.080                236.965
 ROA1   Fr= 1--   -1772.309               2817.528               -263.109
 CID1   Fr= 1--      -5.120                 12.408                 -1.110
 Raman2 Fr= 1--     147.107                 90.727                 86.141
 ROA2   Fr= 1--    -309.190                584.154                -78.109
 CID2   Fr= 1--      -2.102                  6.439                 -0.907
 Raman3 Fr= 1--     294.214                181.454                172.283
 ROA3   Fr= 1--   -1772.309               2817.528               -263.109
 CID3   Fr= 1--      -6.024                 15.528                 -1.527
 RC180  Fr= 1--       0.700                  0.598                  0.454
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     2   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
     3   6    -0.04   0.02   0.01    -0.00   0.00   0.00     0.01  -0.00  -0.00
     4   6    -0.06   0.02   0.01    -0.00  -0.00  -0.00     0.01  -0.00  -0.00
     5   6    -0.01  -0.00  -0.01     0.00   0.00   0.00     0.00   0.00   0.00
     6   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     7   6    -0.01   0.02  -0.02     0.00  -0.02   0.03    -0.00   0.00  -0.00
     8   6    -0.03   0.01  -0.01    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     9   8     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    10   6    -0.00   0.01  -0.01     0.00  -0.00   0.00    -0.00   0.05  -0.07
    11   6    -0.01   0.01   0.00    -0.08   0.02   0.02    -0.00   0.00   0.00
    12   1     0.21  -0.12  -0.24     0.00  -0.00  -0.01    -0.06   0.04   0.07
    13   1     0.32  -0.10   0.17     0.01  -0.00   0.00    -0.05   0.01  -0.02
    14   1     0.22  -0.36   0.04    -0.00   0.00  -0.00    -0.03   0.05  -0.01
    15   1     0.47   0.10  -0.17     0.00   0.00  -0.00    -0.14  -0.03   0.05
    16   1    -0.03  -0.04   0.24     0.03   0.06  -0.34    -0.00  -0.00   0.00
    17   1     0.12  -0.20   0.05    -0.09   0.16  -0.04     0.00  -0.00   0.00
    18   1     0.08   0.06   0.08    -0.02  -0.01  -0.01    -0.01  -0.00  -0.01
    19   1     0.24   0.01   0.16     0.02   0.00   0.02     0.01   0.00   0.01
    20   1    -0.02  -0.08   0.09    -0.00  -0.02   0.02    -0.00  -0.01   0.01
    21   1     0.11  -0.04  -0.09     0.01  -0.00  -0.01     0.00  -0.00  -0.00
    22   1    -0.02  -0.06   0.12     0.00   0.01  -0.02    -0.12  -0.43   0.80
    23   1     0.01  -0.08  -0.02     0.00  -0.01  -0.00     0.03  -0.25  -0.06
    24   1     0.02   0.01   0.01    -0.00  -0.00  -0.00     0.14   0.07   0.11
    25   1     0.10  -0.01  -0.05     0.75  -0.05  -0.35     0.01  -0.00  -0.01
    26   1     0.01   0.01   0.01     0.15   0.09   0.17    -0.00   0.00   0.00
    27   1     0.01  -0.08  -0.01     0.04  -0.28  -0.05     0.00  -0.02  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  8 and mass  15.99491
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Molecular mass:   152.12012 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  1242.481721522.918951641.96827
           X            0.99901  -0.04146   0.01640
           Y            0.04144   0.99914   0.00175
           Z           -0.01646  -0.00107   0.99986
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.06971     0.05687     0.05275
 Rotational constants (GHZ):           1.45253     1.18505     1.09913
 Zero-point vibrational energy     632116.4 (Joules/Mol)
                                  151.07944 (Kcal/Mol)
 Warning -- explicit consideration of  17 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    155.18   242.92   263.98   312.66   323.48
          (Kelvin)            347.99   377.51   417.28   432.82   553.53
                              568.47   598.46   685.53   755.38   806.66
                              829.03   891.38   938.85  1027.76  1087.79
                             1203.12  1241.97  1256.91  1333.29  1358.61
                             1363.64  1381.63  1390.23  1443.05  1485.56
                             1495.93  1521.38  1585.82  1612.14  1655.56
                             1688.21  1715.00  1753.43  1767.28  1796.29
                             1824.67  1835.19  1874.14  1911.03  1921.81
                             1942.56  2028.05  2038.17  2058.89  2103.97
                             2137.32  2143.10  2149.13  2156.68  2164.20
                             2177.81  2185.00  2197.61  2614.30  4364.73
                             4369.99  4374.54  4398.12  4407.21  4410.33
                             4437.70  4437.96  4442.78  4448.31  4458.01
                             4460.94  4465.67  4467.84  4479.06  4499.74
 
 Zero-point correction=                           0.240760 (Hartree/Particle)
 Thermal correction to Energy=                    0.251431
 Thermal correction to Enthalpy=                  0.252375
 Thermal correction to Gibbs Free Energy=         0.206095
 Sum of electronic and zero-point Energies=           -465.910956
 Sum of electronic and thermal Energies=              -465.900285
 Sum of electronic and thermal Enthalpies=            -465.899341
 Sum of electronic and thermal Free Energies=         -465.945621
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  157.775             43.574             97.405
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.968
 Rotational               0.889              2.981             29.520
 Vibrational            155.998             37.612             26.916
 Vibration     1          0.606              1.943              3.307
 Vibration     2          0.625              1.881              2.448
 Vibration     3          0.631              1.862              2.293
 Vibration     4          0.646              1.815              1.981
 Vibration     5          0.649              1.803              1.920
 Vibration     6          0.658              1.776              1.789
 Vibration     7          0.670              1.742              1.646
 Vibration     8          0.686              1.692              1.474
 Vibration     9          0.693              1.672              1.412
 Vibration    10          0.754              1.503              1.021
 Vibration    11          0.762              1.481              0.981
 Vibration    12          0.779              1.436              0.906
 Vibration    13          0.833              1.302              0.720
 Vibration    14          0.880              1.195              0.598
 Vibration    15          0.916              1.116              0.523
 Vibration    16          0.933              1.083              0.492
 Vibration    17          0.980              0.991              0.417
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.159586D-94        -94.797004       -218.278169
 Total V=0       0.881043D+16         15.944997         36.714712
 Vib (Bot)       0.342966-108       -108.464749       -249.749315
 Vib (Bot)    1  0.189984D+01          0.278717          0.641769
 Vib (Bot)    2  0.119403D+01          0.077016          0.177336
 Vib (Bot)    3  0.109338D+01          0.038772          0.089276
 Vib (Bot)    4  0.911256D+00         -0.040360         -0.092932
 Vib (Bot)    5  0.877989D+00         -0.056511         -0.130121
 Vib (Bot)    6  0.810022D+00         -0.091503         -0.210693
 Vib (Bot)    7  0.739388D+00         -0.131128         -0.301933
 Vib (Bot)    8  0.659368D+00         -0.180872         -0.416473
 Vib (Bot)    9  0.631893D+00         -0.199357         -0.459036
 Vib (Bot)   10  0.468405D+00         -0.329379         -0.758423
 Vib (Bot)   11  0.452715D+00         -0.344175         -0.792492
 Vib (Bot)   12  0.423442D+00         -0.373207         -0.859340
 Vib (Bot)   13  0.352075D+00         -0.453365         -1.043912
 Vib (Bot)   14  0.306028D+00         -0.514239         -1.184079
 Vib (Bot)   15  0.277035D+00         -0.557466         -1.283612
 Vib (Bot)   16  0.265463D+00         -0.575996         -1.326279
 Vib (Bot)   17  0.236160D+00         -0.626794         -1.443248
 Vib (V=0)       0.189344D+03          2.277252          5.243566
 Vib (V=0)    1  0.246453D+01          0.391734          0.902002
 Vib (V=0)    2  0.179449D+01          0.253942          0.584722
 Vib (V=0)    3  0.170228D+01          0.231032          0.531971
 Vib (V=0)    4  0.153942D+01          0.187356          0.431404
 Vib (V=0)    5  0.151038D+01          0.179086          0.412360
 Vib (V=0)    6  0.145191D+01          0.161940          0.372881
 Vib (V=0)    7  0.139258D+01          0.143819          0.331156
 Vib (V=0)    8  0.132751D+01          0.123037          0.283302
 Vib (V=0)    9  0.130578D+01          0.115871          0.266804
 Vib (V=0)   10  0.118513D+01          0.073766          0.169852
 Vib (V=0)   11  0.117450D+01          0.069853          0.160843
 Vib (V=0)   12  0.115521D+01          0.062662          0.144284
 Vib (V=0)   13  0.111152D+01          0.045917          0.105728
 Vib (V=0)   14  0.108622D+01          0.035918          0.082703
 Vib (V=0)   15  0.107162D+01          0.030040          0.069171
 Vib (V=0)   16  0.106610D+01          0.027798          0.064008
 Vib (V=0)   17  0.105297D+01          0.022414          0.051611
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.737452D+08          7.867734         18.116127
 Rotational      0.630974D+06          5.800011         13.355020
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000053041   -0.000024740    0.000009116
      2        6           0.000038176    0.000017183   -0.000001880
      3        6          -0.000044485   -0.000008475    0.000029904
      4        6           0.000003597   -0.000017072   -0.000001263
      5        6           0.000019569   -0.000009345   -0.000013874
      6        6          -0.000009171   -0.000018880    0.000019534
      7        6          -0.000024798    0.000021183    0.000020197
      8        6          -0.000007845    0.000002301   -0.000004714
      9        8           0.000001964   -0.000000422    0.000001435
     10        6           0.000036290    0.000028404   -0.000012594
     11        6           0.000009774   -0.000012449   -0.000010072
     12        1          -0.000017893    0.000010456   -0.000002245
     13        1          -0.000000444    0.000000879    0.000001683
     14        1          -0.000002233   -0.000003836    0.000009747
     15        1           0.000015139   -0.000008782   -0.000005708
     16        1           0.000004858    0.000007463   -0.000007006
     17        1          -0.000000158    0.000002355   -0.000001628
     18        1           0.000002348    0.000003374    0.000001667
     19        1           0.000001018    0.000000757   -0.000001537
     20        1           0.000002679   -0.000002031    0.000006031
     21        1           0.000003668   -0.000001781    0.000002187
     22        1          -0.000003981    0.000030162   -0.000010172
     23        1           0.000012706   -0.000007611   -0.000008590
     24        1          -0.000006746    0.000000813    0.000002245
     25        1           0.000018156   -0.000015419   -0.000011765
     26        1           0.000000227    0.000001199   -0.000004221
     27        1           0.000000626    0.000004314   -0.000006479
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000053041 RMS     0.000014691
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.122475D+03  0.978043D+00 -0.345238D+00
      2   0.978043D+00  0.117851D+03  0.170587D+01
      3  -0.345238D+00  0.170587D+01  0.114002D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.148325D+00 -0.457714D+01  0.181770D+01
      2   0.208949D+01 -0.481580D+01  0.211907D+02
      3   0.534448D+01 -0.170458D+02  0.574117D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.273038D+02 -0.140725D+02  0.117566D+02
      2  -0.173924D+02  0.753200D+01 -0.876024D+01
      3  -0.991136D+01  0.654046D+01 -0.299635D+01
      4  -0.167275D+02  0.337400D+02 -0.182695D+02
      5   0.945389D+01 -0.185160D+02  0.440229D+02
      6  -0.112109D+02 -0.144234D+02 -0.377939D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.188847D+01  0.171042D+01  0.625969D+01  0.980725D+00  0.273440D+01
      2   0.171042D+01  0.332409D+01  0.416186D+00  0.273440D+01 -0.642256D+01
      3   0.625969D+01  0.416186D+00  0.337849D+01  0.432863D-01 -0.175188D+01
                 6             7             8             9            10 
      1   0.432863D-01  0.765720D+01  0.740703D+00  0.222730D+01 -0.464687D+01
      2  -0.175188D+01  0.740703D+00 -0.157507D+01  0.456776D+01 -0.226589D+01
      3   0.341820D+01  0.222730D+01  0.456776D+01 -0.107982D+01 -0.480433D+01
                11            12            13            14            15 
      1  -0.226589D+01 -0.480433D+01 -0.288717D+01  0.918578D+00  0.204996D+01
      2   0.117472D+01  0.247990D+01  0.918578D+00  0.786041D+00  0.319794D+01
      3   0.247990D+01 -0.647740D+00  0.204996D+01  0.319794D+01 -0.420656D+01
                16            17            18            19            20 
      1  -0.501416D+01  0.219848D+01 -0.204579D+01  0.234453D+01 -0.439126D+00
      2   0.219848D+01  0.222774D+01 -0.307043D+01 -0.439126D+00 -0.153479D+01
      3  -0.204579D+01 -0.307043D+01 -0.238384D+01  0.448839D+01 -0.280639D+01
                21            22            23            24            25 
      1   0.448839D+01  0.699225D+00 -0.278314D+00 -0.381301D+01  0.271783D+01
      2  -0.280639D+01 -0.278314D+00  0.557604D+00 -0.234114D+01 -0.251317D+01
      3  -0.656168D+00 -0.381301D+01 -0.234114D+01  0.248899D+01 -0.253430D+00
                26            27            28            29            30 
      1  -0.251317D+01 -0.253430D+00 -0.396840D+01 -0.259678D+01  0.254015D+01
      2  -0.357434D+01  0.168459D+01 -0.259678D+01  0.412077D+01  0.902629D+00
      3   0.168459D+01  0.260161D+01  0.254015D+01  0.902629D+00 -0.236583D+00
                31            32            33            34            35 
      1  -0.881709D+00  0.313143D+01  0.101636D+01  0.189128D+01  0.103172D+01
      2   0.313143D+01 -0.365478D+01  0.211399D+01  0.103172D+01  0.151468D+01
      3   0.101636D+01  0.211399D+01  0.206519D+01 -0.106229D+00  0.158252D+01
                36            37            38            39            40 
      1  -0.106229D+00  0.805381D+00 -0.142518D+01 -0.436171D+01  0.368908D+00
      2   0.158252D+01 -0.142518D+01 -0.327767D+01 -0.157955D+01 -0.469808D+01
      3  -0.285338D+01 -0.436171D+01 -0.157955D+01 -0.177740D+01 -0.192242D+01
                41            42            43            44            45 
      1  -0.469808D+01 -0.192242D+01 -0.342317D+01 -0.168252D+01 -0.195664D+01
      2   0.547082D+01 -0.162997D+01 -0.168252D+01  0.492307D-01 -0.385432D+01
      3  -0.162997D+01 -0.253657D+01 -0.195664D+01 -0.385432D+01  0.197020D+01
                46            47            48            49            50 
      1   0.734444D+01  0.352520D+01  0.565442D+00  0.323634D+01 -0.127920D+01
      2   0.352520D+01 -0.490654D+01 -0.387938D+01 -0.127920D+01 -0.104359D+01
      3   0.565442D+00 -0.387938D+01 -0.326890D+01 -0.198661D+01 -0.114557D+01
                51            52            53            54            55 
      1  -0.198661D+01  0.636653D+00 -0.147113D+01 -0.119547D+00 -0.135039D+01
      2  -0.114557D+01 -0.147113D+01 -0.434728D+00  0.499691D+00 -0.118930D+01
      3   0.175872D+00 -0.119547D+00  0.499691D+00  0.222939D+01  0.125735D+01
                56            57            58            59            60 
      1  -0.118930D+01  0.125735D+01 -0.161993D+01  0.395919D+01  0.113982D+01
      2   0.502277D+01  0.162208D+01  0.395919D+01 -0.288274D+01  0.153824D+01
      3   0.162208D+01  0.160035D+01  0.113982D+01  0.153824D+01  0.211490D+01
                61            62            63            64            65 
      1   0.432727D+00 -0.462723D+00  0.131320D+01  0.170686D+01  0.225967D+01
      2  -0.462723D+00  0.201184D+01  0.797869D+00  0.225967D+01 -0.323527D+00
      3   0.131320D+01  0.797869D+00 -0.557753D+01  0.502489D+01 -0.135621D+01
                66            67            68            69            70 
      1   0.502489D+01  0.127850D+01 -0.853565D+00 -0.140542D+01  0.400465D+01
      2  -0.135621D+01 -0.853565D+00 -0.454136D+00 -0.314154D+01 -0.158500D+01
      3   0.939703D+00 -0.140542D+01 -0.314154D+01  0.241558D+01  0.884743D+00
                71            72            73            74            75 
      1  -0.158500D+01  0.884743D+00 -0.160290D+02 -0.318439D+01  0.103977D+01
      2  -0.323106D+01  0.326094D+01 -0.318439D+01 -0.375986D+00  0.129914D+01
      3   0.326094D+01  0.970392D+00  0.103977D+01  0.129914D+01 -0.243837D+00
                76            77            78            79            80 
      1  -0.339360D+01 -0.343377D+01  0.599002D+00  0.306146D+00  0.242600D+00
      2  -0.343377D+01 -0.181814D+01  0.780903D+00  0.242600D+00  0.108910D+00
      3   0.599002D+00  0.780903D+00 -0.203864D+00 -0.300670D+01 -0.861143D+00
                81            82            83            84            85 
      1  -0.300670D+01 -0.108657D+01 -0.189796D+01 -0.460703D+01 -0.252056D+01
      2  -0.861143D+00 -0.189796D+01 -0.138372D+01 -0.323454D+00 -0.251552D+01
      3  -0.120635D+00 -0.460703D+01 -0.323454D+00 -0.180432D+01 -0.427856D+00
                86            87            88            89            90 
      1  -0.251552D+01 -0.427856D+00 -0.575967D+01 -0.399533D+00 -0.252567D+01
      2   0.569559D+01  0.188556D+01 -0.399533D+00  0.168100D+01 -0.281127D+01
      3   0.188556D+01 -0.301167D+01 -0.252567D+01 -0.281127D+01  0.243896D+01
                91            92            93            94            95 
      1   0.188862D+01 -0.464312D+00 -0.519764D+01 -0.999110D+00 -0.186381D+01
      2  -0.464312D+00 -0.170834D+01 -0.564223D+00 -0.186381D+01  0.576032D+01
      3  -0.519764D+01 -0.564223D+00 -0.207924D+01 -0.925187D+00  0.116746D+01
                96            97            98            99           100 
      1  -0.925187D+00 -0.451815D+01 -0.885837D+00 -0.189851D+01  0.228055D+01
      2   0.116746D+01 -0.885837D+00  0.229582D+01 -0.307660D+01 -0.381978D+00
      3  -0.371724D+01 -0.189851D+01 -0.307660D+01 -0.246690D+00 -0.246629D+01
               101           102           103           104           105 
      1  -0.381978D+00 -0.246629D+01 -0.101478D+01  0.675755D+00  0.137492D+01
      2   0.113686D+01  0.696298D+00  0.675755D+00 -0.109058D+01 -0.103882D+01
      3   0.696298D+00  0.347721D+01  0.137492D+01 -0.103882D+01 -0.267924D+01
               106           107           108           109           110 
      1  -0.177380D+01  0.455662D+00  0.224650D+01 -0.451405D+01  0.106470D+01
      2   0.455662D+00 -0.770082D+00 -0.101381D+01  0.106470D+01 -0.132221D+01
      3   0.224650D+01 -0.101381D+01 -0.669387D+01 -0.366173D+01  0.135311D+01
               111           112           113           114           115 
      1  -0.366173D+01  0.848489D+00 -0.935403D+00  0.890250D+00 -0.201829D+01
      2   0.135311D+01 -0.935403D+00  0.972631D+00 -0.954737D+00  0.762879D+00
      3  -0.386701D+01  0.890250D+00 -0.954737D+00  0.827667D+00 -0.213175D+01
               116           117           118           119           120 
      1   0.762879D+00 -0.213175D+01 -0.937496D+00  0.211423D+01 -0.666205D+00
      2  -0.574406D+00  0.731070D+00  0.211423D+01 -0.402425D+01  0.784923D+00
      3   0.731070D+00 -0.391327D+01 -0.666205D+00  0.784923D+00 -0.842873D+00
               121           122           123           124           125 
      1   0.142031D+01 -0.193808D+01  0.265687D+00 -0.311974D+00  0.280404D-01
      2  -0.193808D+01  0.914119D+01 -0.184625D+01  0.280404D-01 -0.817323D+00
      3   0.265687D+00 -0.184625D+01  0.122794D+01 -0.391517D+00  0.107596D+01
               126           127           128           129           130 
      1  -0.391517D+00  0.661494D+01  0.291414D+01 -0.227317D+01  0.146513D+01
      2   0.107596D+01  0.291414D+01  0.246589D+01 -0.128921D+01  0.144060D+01
      3  -0.419700D+00 -0.227317D+01 -0.128921D+01  0.194895D+01 -0.711150D+00
               131           132           133           134           135 
      1   0.144060D+01 -0.711150D+00 -0.187191D+01 -0.934790D+00  0.154372D+01
      2   0.196991D+01 -0.877738D+00 -0.934790D+00 -0.104672D+01  0.771263D+00
      3  -0.877738D+00  0.377492D+00  0.154372D+01  0.771263D+00 -0.132418D+01
               136           137           138           139           140 
      1  -0.278092D+00  0.203155D+00  0.132459D+01 -0.344261D+00 -0.385854D+00
      2   0.203155D+00 -0.648860D+00 -0.464052D+00 -0.385854D+00  0.310869D+00
      3   0.132459D+01 -0.464052D+00 -0.143971D+01  0.211076D+00  0.803810D+00
               141           142           143           144           145 
      1   0.211076D+00  0.161970D+01 -0.216336D+00 -0.163585D+01 -0.289765D+01
      2   0.803810D+00 -0.216336D+00  0.137660D+01  0.109412D+01  0.285630D+01
      3  -0.100969D+01 -0.163585D+01  0.109412D+01  0.946278D+01  0.334265D+00
               146           147           148           149           150 
      1   0.285630D+01  0.334265D+00  0.286350D+01 -0.328107D+01 -0.498475D+00
      2  -0.378000D+01 -0.825184D+00 -0.328107D+01  0.751768D+01  0.525438D+00
      3  -0.825184D+00 -0.837039D+00 -0.498475D+00  0.525438D+00  0.948996D+00
               151           152           153           154           155 
      1  -0.843906D+00  0.664050D+00 -0.432274D+00  0.397600D+01  0.264177D+01
      2   0.664050D+00 -0.125489D+01  0.924571D+00  0.264177D+01  0.274878D+01
      3  -0.432274D+00  0.924571D+00  0.644944D+00  0.276204D+01  0.162121D+01
               156           157           158           159           160 
      1   0.276204D+01  0.148752D+01  0.228336D+01  0.990584D+00  0.253698D+01
      2   0.162121D+01  0.228336D+01  0.303053D+01  0.194544D+01  0.155315D+01
      3   0.244405D+01  0.990584D+00  0.194544D+01  0.185538D+01  0.241678D+01
               161           162           163           164           165 
      1   0.155315D+01  0.241678D+01 -0.501456D+01 -0.191951D+01 -0.346102D+01
      2   0.215750D+01  0.257803D+01 -0.191951D+01 -0.215909D+01 -0.129581D+01
      3   0.257803D+01  0.360811D+01 -0.346102D+01 -0.129581D+01 -0.320212D+01
               166           167           168           169           170 
      1  -0.511533D+00 -0.923335D+00 -0.154812D+00 -0.296647D+01 -0.830245D+00
      2  -0.923335D+00 -0.485880D+00 -0.407572D+00 -0.830245D+00 -0.920435D+00
      3  -0.154812D+00 -0.407572D+00 -0.317970D+00 -0.254534D+01 -0.162294D+01
               171           172           173           174           175 
      1  -0.254534D+01 -0.705341D+00 -0.118294D+01  0.575074D-02 -0.897131D+00
      2  -0.162294D+01 -0.118294D+01 -0.979550D+00  0.460051D+00 -0.878099D+00
      3  -0.349027D+01  0.575074D-02  0.460051D+00 -0.416716D+00  0.338391D+00
               176           177           178           179           180 
      1  -0.878099D+00  0.338391D+00  0.579890D+00  0.886412D+00 -0.329542D+00
      2  -0.574552D+01  0.209799D+01  0.886412D+00  0.434426D+01 -0.206821D+01
      3   0.209799D+01 -0.175129D+01 -0.329542D+00 -0.206821D+01  0.262645D+01
               181           182           183           184           185 
      1   0.293193D+01 -0.169014D+01 -0.223883D+01 -0.947299D+00  0.132249D+01
      2  -0.169014D+01  0.277550D+01  0.181345D+01  0.132249D+01 -0.198909D+01
      3  -0.223883D+01  0.181345D+01  0.245989D+01  0.853579D+00 -0.969568D+00
               186           187           188           189           190 
      1   0.853579D+00 -0.195482D+01  0.107888D+01  0.149767D+01  0.103407D+01
      2  -0.969568D+00  0.107888D+01 -0.168165D+01 -0.219916D+01  0.785985D+00
      3  -0.117559D+01  0.149767D+01 -0.219916D+01 -0.330280D+01 -0.941829D+00
               191           192           193           194           195 
      1   0.785985D+00 -0.941829D+00  0.162505D+01  0.452375D+00 -0.465144D+00
      2   0.295633D+00 -0.250844D+00  0.452375D+00  0.871544D+00 -0.138106D+01
      3  -0.250844D+00  0.127176D+01 -0.465144D+00 -0.138106D+01  0.186363D+01
               196           197           198           199           200 
      1  -0.206142D+01 -0.130737D+00  0.199853D+01  0.131496D+01 -0.120151D+01
      2  -0.130737D+00 -0.159276D+01  0.160149D+01 -0.120151D+01  0.114847D+01
      3   0.199853D+01  0.160149D+01 -0.502850D+01  0.213191D-01  0.247608D+00
               201           202           203           204           205 
      1   0.213191D-01 -0.291491D+01  0.299766D+01  0.609652D+00  0.880195D-01
      2   0.247608D+00  0.299766D+01 -0.744882D+01 -0.124143D+01  0.377152D+00
      3   0.362146D+00  0.609652D+00 -0.124143D+01 -0.102168D+01  0.777864D+00
               206           207           208           209           210 
      1   0.377152D+00  0.777864D+00  0.763105D+01  0.831671D+00  0.264887D+01
      2  -0.986389D+00 -0.826501D+00  0.831671D+00  0.939637D+00  0.230151D+00
      3  -0.826501D+00 -0.737897D+00  0.264887D+01  0.230151D+00  0.167314D+01
               211           212           213           214           215 
      1   0.257135D+01  0.149391D+01  0.755360D+00  0.540975D+01  0.375264D+00
      2   0.149391D+01  0.166507D+00  0.382780D+00  0.375264D+00  0.696632D+00
      3   0.755360D+00  0.382780D+00  0.893765D+00  0.267522D+01  0.595249D+00
               216           217           218           219           220 
      1   0.267522D+01 -0.450255D+01 -0.757846D-02  0.230461D+01  0.186502D+00
      2   0.595249D+00 -0.757846D-02 -0.124838D+01  0.955502D+00 -0.652333D+00
      3   0.214370D+01  0.230461D+01  0.955502D+00 -0.290210D+01  0.361673D+00
               221           222           223           224           225 
      1  -0.652333D+00  0.361673D+00  0.194873D+01  0.339317D+00 -0.154792D+01
      2  -0.542448D+00  0.317709D+00  0.339317D+00  0.355218D+00 -0.176331D+00
      3   0.317709D+00  0.266380D+00 -0.154792D+01 -0.176331D+00  0.280505D+01
               226           227           228           229           230 
      1   0.354995D+01  0.131745D+00  0.348836D+01  0.120005D+01  0.824212D+00
      2   0.131745D+00  0.104513D+01 -0.521653D-01  0.824212D+00  0.492090D-01
      3   0.348836D+01 -0.521653D-01  0.414009D+01  0.107600D+01  0.686957D+00
               231           232           233           234           235 
      1   0.107600D+01  0.258577D+01  0.117448D+00  0.310062D+01  0.619227D+00
      2   0.686957D+00  0.117448D+00  0.532061D+00  0.311556D+00 -0.119235D+01
      3   0.216909D+01  0.310062D+01  0.311556D+00  0.584838D+01  0.614298D+00
               236           237           238           239           240 
      1  -0.119235D+01  0.614298D+00 -0.129958D+01  0.168247D+01 -0.265503D+00
      2   0.147470D+01 -0.195761D+00  0.168247D+01 -0.872217D+01  0.128306D+01
      3  -0.195761D+00  0.525979D+00 -0.265503D+00  0.128306D+01 -0.147771D+01
               241           242           243 
      1   0.102421D+00  0.260259D+00  0.244555D+00
      2   0.260259D+00 -0.891645D+00 -0.495947D+00
      3   0.244555D+00 -0.495947D+00 -0.177577D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.181290D+01  0.129799D+01  0.202289D+01  0.250530D+01 -0.673650D+01
      2   0.105197D+02 -0.174635D+00  0.389653D+01  0.183371D+01 -0.485779D+01
      3   0.800558D+00 -0.733181D+01 -0.255764D+01  0.446714D+00  0.830784D+01
                 6             7             8             9            10 
      1  -0.343635D+01  0.476546D+01  0.382617D+01  0.223098D+01 -0.461128D+01
      2   0.318956D+01 -0.307913D+01  0.363766D+01 -0.315006D+01 -0.219889D+01
      3   0.332440D+01 -0.277035D+01  0.325764D+01 -0.402500D+01 -0.221397D+01
                11            12            13            14            15 
      1  -0.247581D+01  0.395141D+00  0.139368D+01  0.477148D+01 -0.121624D+02
      2  -0.389877D+01  0.843343D+00 -0.377874D+01 -0.242449D+00  0.173698D+01
      3  -0.232837D+01  0.484230D+01  0.779896D+01  0.374907D-01  0.110595D+01
                16            17            18            19            20 
      1  -0.603630D+01 -0.856848D+00 -0.223248D+01  0.481735D+01  0.476385D+01
      2  -0.688030D+01  0.437892D+01 -0.548521D+01  0.519327D+01 -0.127464D+01
      3   0.411294D+01  0.289014D+01 -0.262764D+00 -0.521835D+00 -0.462685D+01
                21            22            23            24            25 
      1   0.458787D+01 -0.775775D+00  0.224586D+01  0.652562D+01  0.518007D+01
      2   0.120313D+02 -0.801206D+00 -0.944681D+00 -0.859811D+01  0.399228D+01
      3   0.397351D+00  0.224300D+00 -0.110893D+00 -0.154409D+01  0.840504D+00
                26            27            28            29            30 
      1   0.110463D+02 -0.117728D+01 -0.576895D+01 -0.723240D+01 -0.121707D+01
      2  -0.826333D+01  0.712229D+00 -0.218812D+01 -0.204915D+01  0.522904D+01
      3  -0.194487D+01  0.615083D+00 -0.913543D+01 -0.133592D+02  0.658057D+01
                31            32            33            34            35 
      1  -0.633564D+01 -0.270331D+01 -0.116574D+02 -0.437164D+00 -0.597832D+01
      2  -0.342416D+00  0.527579D+01  0.341456D+01  0.745561D+00  0.254609D+01
      3  -0.367314D+01  0.128819D+02  0.527543D+00  0.549819D+01  0.185045D+01
                36            37            38            39            40 
      1   0.699372D+01  0.422283D+01  0.755158D+00  0.499139D+00  0.250032D+00
      2  -0.450717D+01 -0.623076D+01 -0.111466D+01  0.432879D+01 -0.138312D+01
      3  -0.175307D+01  0.579954D+01 -0.249949D+01 -0.426331D+01  0.618835D+01
                41            42            43            44            45 
      1   0.602480D+01  0.143611D+01 -0.857362D+00  0.915036D+01 -0.864955D+01
      2   0.213740D+01 -0.128582D+01 -0.247043D+01 -0.985097D+00  0.339677D+01
      3  -0.105881D+02 -0.164069D+01 -0.353877D+01 -0.194589D+01 -0.143468D+00
                46            47            48            49            50 
      1   0.353744D+01  0.149139D+01  0.463963D+01  0.402728D+01 -0.137754D+02
      2  -0.360230D+01  0.841694D+01 -0.108288D+01  0.687922D+01 -0.245755D+01
      3   0.613453D+00 -0.303743D-01 -0.804191D+01  0.500802D+01  0.133684D+01
                51            52            53            54            55 
      1  -0.209093D+01  0.123286D+01  0.108916D+02  0.140296D+02 -0.537301D+01
      2  -0.677637D+00 -0.101746D+02  0.155913D+01  0.536159D+01  0.294781D+01
      3  -0.310868D+01 -0.769892D+01 -0.303435D+01  0.269142D+00 -0.583431D+01
                56            57            58            59            60 
      1   0.645551D+01 -0.201365D+01  0.532538D+01 -0.589468D+01 -0.622718D+01
      2   0.715828D+00 -0.451905D+01  0.906945D+00 -0.750146D+01 -0.245553D+01
      3   0.422442D+01  0.570610D+01  0.691047D+01  0.219223D+01  0.150619D+01
                61            62            63            64            65 
      1  -0.977256D+00  0.521356D+01  0.128594D+02  0.710582D+01 -0.158887D+01
      2  -0.870110D+01 -0.596711D-01  0.780694D+01 -0.222681D+01  0.514373D+01
      3   0.395309D+01 -0.105455D+00  0.339625D+01 -0.211457D+01 -0.100183D+02
                66            67            68            69            70 
      1   0.400767D+01 -0.286270D+01 -0.764099D+01  0.849135D+01  0.338092D+01
      2   0.830233D+01  0.271260D+01  0.208551D+01 -0.414936D+01  0.271631D+01
      3  -0.137956D+02 -0.196926D+01  0.179793D+01  0.731700D+00 -0.109244D+02
                71            72            73            74            75 
      1   0.163577D+02 -0.237143D+01 -0.366786D+00 -0.447183D+00 -0.471334D+01
      2  -0.592876D+01  0.655968D+00  0.331955D+01  0.173395D+00  0.128382D+02
      3  -0.321146D+00  0.113899D+00 -0.344379D+01 -0.138727D+02  0.451179D+00
                76            77            78            79            80 
      1  -0.283365D+01  0.267746D+01 -0.135975D+01  0.971711D+00 -0.146792D+01
      2  -0.183778D+01  0.250176D+01  0.335095D+01  0.447633D+01  0.423219D+00
      3  -0.311511D+01 -0.725137D+01  0.467642D+00  0.791038D+00  0.813745D+00
                81            82            83            84            85 
      1  -0.510587D+01 -0.258819D+01 -0.500336D-03 -0.191395D+01 -0.123349D+00
      2  -0.165187D+01 -0.128904D+02 -0.605316D+00 -0.517349D+01 -0.207440D+01
      3  -0.263119D+01  0.596628D+01  0.424134D+01  0.337516D+01  0.132174D+02
                86            87            88            89            90 
      1   0.882569D+00 -0.479368D+01 -0.446101D+01 -0.665389D+00  0.336214D+01
      2   0.627533D+01 -0.858778D+01 -0.136736D+02 -0.750721D+01  0.928951D+01
      3  -0.161294D+02 -0.664083D+01  0.481670D+01 -0.596024D+01  0.104334D+02
                91            92            93            94            95 
      1  -0.919104D+01 -0.446595D+01 -0.368392D+01 -0.642898D+01  0.172346D+02
      2  -0.111444D+02 -0.721364D+00  0.137894D+02 -0.650925D-02  0.511793D+01
      3  -0.336608D+01 -0.226574D-01  0.954929D+01  0.466295D+01 -0.432302D+01
                96            97            98            99           100 
      1  -0.615377D+01 -0.410448D+01  0.308793D+01 -0.937318D+01  0.377335D+00
      2  -0.150494D+01  0.673846D+01 -0.203463D+01  0.324077D+01  0.680459D+01
      3   0.915574D-01  0.749482D+01 -0.177609D+01  0.544179D+01  0.105435D+01
               101           102           103           104           105 
      1  -0.492695D+01 -0.212329D+01 -0.353393D+00  0.390443D+01 -0.344848D+00
      2  -0.159099D+01 -0.339037D+01 -0.280205D+01  0.148650D+01  0.193235D+01
      3  -0.149090D+01 -0.989911D+00  0.730727D+00  0.260037D+00  0.155800D+00
               106           107           108           109           110 
      1  -0.150489D+01  0.529852D+01  0.300657D+01 -0.363541D+00  0.388779D+01
      2  -0.605107D+01  0.144430D+01  0.361156D+01 -0.112066D+02  0.157783D+01
      3  -0.301876D+00  0.149858D+01  0.710501D+00 -0.306308D+01 -0.188708D+01
               111           112           113           114           115 
      1  -0.340954D+00  0.105863D+01 -0.172405D+01 -0.419536D+00  0.174497D+00
      2  -0.446032D+01  0.247878D+01 -0.174574D+01  0.200848D+01 -0.549963D+01
      3  -0.171421D+01  0.156730D+01  0.195686D+00  0.654433D+00 -0.159293D+01
               116           117           118           119           120 
      1   0.182859D+01  0.463891D+00 -0.405605D+00  0.322717D+01  0.295340D+01
      2   0.157198D+01 -0.359527D+01 -0.199531D+01  0.241745D+01  0.216011D-01
      3  -0.603844D+00 -0.146680D+01 -0.501870D+01  0.660430D+01 -0.189571D+01
               121           122           123           124           125 
      1   0.194463D+01 -0.579419D+01 -0.448066D+01  0.896742D+00  0.217899D+00
      2   0.217533D+01 -0.359436D+01  0.437161D+00 -0.147196D+01  0.104100D+01
      3   0.791045D+01 -0.106312D+02  0.157521D+01 -0.967503D+00  0.722938D+00
               126           127           128           129           130 
      1  -0.591324D+00  0.304556D+01 -0.824900D+00 -0.481915D+01  0.262873D+00
      2  -0.218877D+00  0.654439D+01  0.152556D+01  0.177845D+01  0.892676D+00
      3  -0.186171D+01  0.153728D+02  0.151455D+01 -0.403965D+01  0.293977D+01
               131           132           133           134           135 
      1   0.541811D+00 -0.952293D+00 -0.271137D+01  0.131044D+01  0.189177D+01
      2   0.698423D+00  0.204893D+00 -0.225539D+01 -0.531673D+00 -0.250666D+00
      3   0.118594D+01 -0.115785D+01 -0.425775D+01 -0.823489D+00  0.313594D+01
               136           137           138           139           140 
      1  -0.139035D+01  0.371783D+00  0.265107D+01  0.299340D+00 -0.154322D+01
      2  -0.131664D+01  0.709759D+00  0.154210D+01  0.512190D+00 -0.193725D+00
      3   0.307466D+00 -0.209253D+01  0.705494D+00  0.711372D-02 -0.139937D+01
               141           142           143           144           145 
      1   0.385857D+01  0.285029D+01  0.131800D+01 -0.183627D+02  0.355904D+01
      2   0.235986D+01 -0.295062D+01 -0.121157D+01 -0.105575D+02  0.345925D+01
      3   0.957877D+00  0.255143D+01  0.194186D+01 -0.286670D+01 -0.110049D+01
               146           147           148           149           150 
      1  -0.691226D+01  0.798063D-01 -0.431281D+01  0.117939D+02 -0.225735D+01
      2  -0.364157D+01  0.226473D+01 -0.405843D+01  0.578340D+01 -0.983348D+00
      3  -0.248569D+01 -0.906770D+00  0.391491D+01  0.460843D+01 -0.452573D+00
               151           152           153           154           155 
      1   0.137635D+01 -0.333712D+01  0.486740D+00 -0.203613D+01  0.135987D+01
      2   0.944631D+00 -0.189093D+01  0.585912D+00 -0.210621D+01 -0.598047D+00
      3  -0.116184D+01 -0.120799D+01  0.278461D+00  0.542849D+01 -0.489960D+00
               156           157           158           159           160 
      1  -0.364937D+01 -0.424327D+00 -0.144350D+00 -0.394251D+01 -0.191005D+01
      2   0.185386D+01 -0.154952D+01 -0.293674D+00  0.138310D+01 -0.215845D+01
      3   0.294802D+01  0.310773D+01  0.625923D+00  0.575864D+00  0.392320D+01
               161           162           163           164           165 
      1   0.365540D+00 -0.400987D+01 -0.444082D+01  0.141358D+01 -0.587493D+01
      2   0.109552D+01  0.225789D+01 -0.548738D+01 -0.977849D+00  0.271253D+00
      3  -0.734059D+00  0.142598D+01  0.112538D+02 -0.216147D+00  0.669347D+01
               166           167           168           169           170 
      1   0.125292D+00 -0.119516D+00 -0.138810D+01 -0.448368D+01 -0.244001D+00
      2  -0.559816D+00 -0.104122D+01  0.311147D-01 -0.365769D+01 -0.931738D-01
      3   0.146580D+01  0.153818D+01  0.693284D+00  0.683789D+01  0.393763D+00
               171           172           173           174           175 
      1  -0.524518D+01  0.139844D+01  0.215426D+01 -0.122695D+01  0.201551D+01
      2  -0.359736D-01 -0.560193D+00 -0.177789D+01  0.111716D+01 -0.614477D+00
      3   0.486148D+01  0.826310D+00  0.861144D+00  0.120674D-01  0.368989D+01
               176           177           178           179           180 
      1   0.116111D+02 -0.993468D+01 -0.101779D+01 -0.914196D+01  0.114917D+02
      2  -0.288466D+01  0.220772D+01 -0.418687D+00  0.278160D+01 -0.341006D+01
      3  -0.224485D+01  0.811769D+00 -0.239917D+01  0.159431D+01 -0.122892D+01
               181           182           183           184           185 
      1  -0.265592D+01 -0.159504D+01  0.386759D+01  0.283549D+00  0.552972D+00
      2   0.740713D+01 -0.306005D+01 -0.284767D+01 -0.220616D+01  0.212592D+01
      3  -0.100576D+02  0.335856D+01  0.581769D+01  0.436119D+01 -0.321761D+01
               186           187           188           189           190 
      1  -0.285148D+01  0.183394D+01 -0.372661D+00 -0.404090D+01 -0.104691D+01
      2   0.136412D+01 -0.524223D+01  0.259384D+01  0.303572D+01 -0.213818D+01
      3  -0.247409D+01  0.601938D+01 -0.224690D+01 -0.450626D+01 -0.234749D+01
               191           192           193           194           195 
      1  -0.608088D+00  0.600281D+00 -0.186610D-01 -0.235176D+01  0.137643D+01
      2  -0.250264D+00  0.353605D+01  0.556851D+00 -0.457359D+01  0.678280D+01
      3  -0.171813D+01  0.141594D+01 -0.197945D+00 -0.446303D+01  0.503260D+01
               196           197           198           199           200 
      1   0.882610D+00  0.458730D+01 -0.380835D+01  0.300975D+00 -0.543467D+00
      2   0.945759D+00  0.611448D+01 -0.160816D+02  0.194322D+00  0.244461D+00
      3   0.635387D+00  0.655987D+01 -0.654269D+01  0.269829D+01 -0.341393D+01
               201           202           203           204           205 
      1   0.540875D+00  0.261871D-01  0.138672D+01 -0.341833D+01  0.344234D+00
      2   0.168326D+01  0.785540D+00 -0.356489D+01 -0.410704D+01  0.901100D+00
      3  -0.622116D+00 -0.251845D+01  0.208231D+02  0.334367D+01 -0.683495D+00
               206           207           208           209           210 
      1   0.740388D+00 -0.724919D+00  0.200634D+01  0.916241D+00  0.852924D+00
      2  -0.185523D+01 -0.217839D+01  0.824737D+01  0.144466D+01  0.851541D+01
      3   0.338602D+01  0.170891D+01 -0.693699D+01 -0.585478D+01 -0.274031D+01
               211           212           213           214           215 
      1   0.806241D+00  0.731579D+00 -0.266069D+00  0.223907D+01  0.169563D+01
      2   0.216183D+01  0.103890D+01  0.350808D+01  0.589783D+01  0.188224D+01
      3  -0.392973D+01 -0.189175D+01 -0.129208D+01 -0.414689D+01 -0.369755D+01
               216           217           218           219           220 
      1   0.852127D+00  0.454596D+01 -0.344560D+01 -0.230877D+01 -0.175245D+01
      2   0.762280D+01  0.156441D+02 -0.680130D+00 -0.514967D+01 -0.720946D+00
      3  -0.345899D+01  0.836258D+01 -0.188796D+01 -0.353744D+01  0.524525D+00
               221           222           223           224           225 
      1   0.386198D-01  0.221008D-01 -0.205100D+01  0.179730D+01  0.297471D+01
      2   0.213094D+01 -0.499008D+00 -0.760746D+01 -0.552822D+00  0.455299D+01
      3   0.126952D+01 -0.768262D+00 -0.338502D+01  0.266991D+00  0.231523D+01
               226           227           228           229           230 
      1   0.506129D+01  0.404165D+01  0.531990D+01  0.286270D+01  0.164120D+01
      2  -0.507325D+01 -0.875795D+00 -0.675101D+00 -0.204744D+01 -0.803813D+00
      3  -0.405645D+01 -0.319961D+01 -0.399052D+01 -0.135421D+01 -0.140271D+01
               231           232           233           234           235 
      1   0.301233D+01  0.437902D+01  0.410504D+01  0.813655D+01 -0.155274D+01
      2   0.601151D+00 -0.569802D+01 -0.159080D-01 -0.130851D-02 -0.914663D-01
      3  -0.176739D+01 -0.368480D+01 -0.192481D+01 -0.432872D+01  0.235757D+00
               236           237           238           239           240 
      1   0.293078D+01  0.867140D+00  0.321061D+01 -0.184652D+02 -0.358701D+01
      2   0.177555D+01  0.457640D+00  0.288735D+01 -0.195820D+01 -0.166431D+01
      3  -0.904330D+00 -0.255744D+00  0.332502D+01  0.708175D+01 -0.880564D+00
               241           242           243 
      1   0.535684D+00 -0.184747D+01 -0.223060D+01
      2  -0.611679D+00 -0.629576D+00 -0.835089D+00
      3   0.391185D-01  0.115037D+01  0.370259D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.112049D+02  0.440244D+01  0.154574D+02  0.575386D+01  0.791758D+01
      2  -0.699806D+00 -0.321334D+01 -0.989311D+01 -0.460920D+01 -0.129556D+01
      3   0.119047D+02 -0.118910D+01 -0.556429D+01 -0.114466D+01 -0.662201D+01
      4   0.524233D+00  0.485416D+01 -0.527623D+01  0.602802D+01 -0.125549D+02
      5   0.140824D+02 -0.108534D+01  0.885177D+01  0.876557D+00  0.519608D+00
      6  -0.795966D+01  0.241707D+01 -0.152298D+01  0.339143D+01 -0.499753D+01
                 6             7             8             9            10 
      1  -0.472559D+01  0.198767D+02 -0.298034D+01  0.105154D+02  0.947741D+00
      2  -0.380104D+01 -0.109221D+02 -0.206721D+01 -0.492915D+01 -0.798350D+00
      3   0.852663D+01 -0.895461D+01  0.504755D+01 -0.558624D+01 -0.149392D+00
      4  -0.393697D+00 -0.435914D+01  0.421528D+00  0.231701D+01  0.620504D+01
      5   0.626455D+01  0.105539D+02  0.557111D+01 -0.102951D+01 -0.203400D+01
      6  -0.405495D+01 -0.153780D+01 -0.442923D+01  0.357566D+01  0.688588D+01
                11            12            13            14            15 
      1   0.504061D+01  0.134134D+01  0.700248D+01 -0.680472D+00 -0.133693D+02
      2  -0.194492D+01  0.403705D+01  0.413452D+00  0.738133D+01 -0.367767D+01
      3  -0.309569D+01 -0.537839D+01 -0.741593D+01 -0.670086D+01  0.170469D+02
      4   0.212515D+01  0.270009D+01  0.487274D+00  0.165049D+01 -0.140239D+01
      5  -0.240082D+01  0.318564D+01 -0.244802D+01 -0.207074D+01 -0.448602D+01
      6  -0.156947D+01  0.123042D+01 -0.786493D+00  0.320305D+01 -0.373929D+01
                16            17            18            19            20 
      1  -0.154337D+02 -0.701819D+01 -0.285980D+01  0.684080D+01 -0.252940D+01
      2   0.630297D+01 -0.330673D+01  0.457222D+00  0.121031D+02 -0.115384D+02
      3   0.913074D+01  0.103249D+02  0.240257D+01 -0.189439D+02  0.140678D+02
      4   0.653466D+01 -0.432802D+01  0.247908D+01  0.404612D+01 -0.264046D+01
      5   0.165584D+01 -0.276481D+00  0.236229D+00 -0.957396D+01  0.317546D+01
      6   0.483861D-01  0.182309D+00  0.109774D+02  0.439834D+01 -0.719709D+00
                21            22            23            24            25 
      1  -0.907621D+01 -0.108370D+02 -0.597164D+01  0.139487D+02 -0.185621D+01
      2  -0.467110D+01 -0.717008D+01 -0.606410D+01  0.127278D+01 -0.592279D+01
      3   0.137473D+02  0.180071D+02  0.120357D+02 -0.152215D+02  0.777901D+01
      4   0.328846D+01 -0.239087D+01 -0.316688D+01 -0.198229D+01  0.142089D+01
      5  -0.213370D+02  0.579311D+01  0.251852D+01  0.115229D+02 -0.141513D+02
      6   0.100594D+02 -0.273261D+01 -0.437589D+01  0.638112D+01  0.762824D+01
                26            27            28            29            30 
      1   0.669750D+01  0.347664D+01 -0.504023D+01 -0.159217D+02  0.634348D+01
      2   0.103772D+01  0.123867D+02 -0.663431D+01  0.251782D+02  0.886264D+00
      3  -0.773523D+01 -0.158634D+02  0.116745D+02 -0.925652D+01 -0.722974D+01
      4  -0.189948D+01  0.382352D+01 -0.184199D+02 -0.124858D+02  0.126064D+02
      5   0.800240D+01  0.324439D+01  0.118004D+02  0.806317D+01 -0.276538D+01
      6   0.515092D+01 -0.502610D+01  0.153777D+02 -0.135521D+01 -0.525109D+01
                31            32            33            34            35 
      1  -0.975339D+01  0.157204D+02 -0.440511D-01  0.466776D+01  0.146240D+01
      2   0.170615D+02 -0.233024D+02  0.948420D+01  0.507897D+00  0.721053D+01
      3  -0.730812D+01  0.758201D+01 -0.944015D+01 -0.517565D+01 -0.867292D+01
      4  -0.366771D+01  0.123407D+02  0.185707D+01  0.100261D+02  0.310224D+01
      5   0.280867D+01 -0.343390D+01  0.184783D+00 -0.456476D+01  0.591067D+00
      6  -0.147255D+01  0.922567D+01  0.164867D+01 -0.312800D+01  0.276336D+01
                36            37            38            39            40 
      1  -0.797939D+01  0.348725D+00  0.311433D+01 -0.103001D+01  0.295688D+01
      2   0.591584D+01  0.187826D+01 -0.857661D+01 -0.308239D+01 -0.590889D+01
      3   0.206355D+01 -0.222699D+01  0.546228D+01  0.411240D+01  0.295202D+01
      4   0.275350D+01  0.190779D-01 -0.776737D+01 -0.120714D+02 -0.695903D+01
      5  -0.126883D+01 -0.622587D+01 -0.908217D+01 -0.997035D+01 -0.464945D+01
      6  -0.974041D+01 -0.130721D+02 -0.110831D+02 -0.327127D+01 -0.826850D+01
                41            42            43            44            45 
      1  -0.878442D+01 -0.605652D+00 -0.302540D+01 -0.103066D+01  0.275174D+01
      2   0.119889D+02 -0.109337D+01  0.816827D+00 -0.386881D+00 -0.815893D+01
      3  -0.320445D+01  0.169902D+01  0.220857D+01  0.141754D+01  0.540719D+01
      4  -0.300057D+01 -0.546975D+01 -0.883015D+01 -0.493770D+01 -0.120530D+02
      5  -0.568141D+01 -0.716732D+01 -0.795911D+01 -0.986466D+01 -0.613762D+01
      6   0.835696D+00 -0.851221D+01 -0.683330D+01 -0.118313D+02  0.228335D+01
                46            47            48            49            50 
      1  -0.535922D+02 -0.697319D+01  0.319255D+01 -0.186958D+02  0.182997D+01
      2   0.256208D+02 -0.192868D+01 -0.364521D+01  0.832537D+01 -0.371356D+01
      3   0.279714D+02  0.890188D+01  0.452657D+00  0.103704D+02  0.188359D+01
      4  -0.147155D+02 -0.646374D+01  0.356039D+01  0.585449D+00 -0.422863D+01
      5   0.504989D+01  0.566836D+01 -0.673496D+01  0.320132D+01  0.391899D+00
      6   0.103950D+01  0.201821D+00 -0.631690D+01  0.276042D+01 -0.538941D+01
                51            52            53            54            55 
      1   0.130232D+02  0.163375D+01  0.105978D+02  0.411046D+00  0.267095D+01
      2  -0.769694D+00  0.133868D+01 -0.602303D+01 -0.276303D+01 -0.719685D+01
      3  -0.122535D+02 -0.297243D+01 -0.457481D+01  0.235198D+01  0.452589D+01
      4   0.203378D+01 -0.766725D+00  0.346220D+01 -0.287048D+01  0.341271D+01
      5  -0.458297D+01  0.534603D+01 -0.101627D+01 -0.103872D+01 -0.124984D+01
      6  -0.301381D+01 -0.787992D+00  0.495514D+00 -0.632126D+01  0.384122D+01
                56            57            58            59            60 
      1  -0.712121D+01 -0.705621D+01  0.176455D+01 -0.242462D+01 -0.936114D+01
      2   0.170882D+02  0.188585D+01  0.986432D+01 -0.120245D+02 -0.105944D+00
      3  -0.996694D+01  0.517036D+01 -0.116289D+02  0.144491D+02  0.946708D+01
      4  -0.142622D+02  0.166770D-01 -0.858480D+01  0.181259D+02 -0.158364D+01
      5  -0.185791D+01 -0.651954D+00 -0.323910D-01  0.303727D+01 -0.514134D+00
      6   0.101951D+02  0.350733D+01  0.390400D+01  0.186611D+01  0.949952D+01
                61            62            63            64            65 
      1   0.206284D+01 -0.352356D+01  0.102868D+02  0.590007D+01 -0.598428D+01
      2  -0.597658D+01  0.868534D+01  0.167303D+02  0.412832D+01  0.282743D+01
      3   0.391373D+01 -0.516178D+01 -0.270171D+02 -0.100284D+02  0.315685D+01
      4   0.310852D+01 -0.405835D+01  0.644373D+01 -0.604353D+01 -0.972714D+01
      5   0.506558D+00  0.894424D+00  0.141341D+02 -0.961080D+01 -0.867288D+01
      6   0.179218D+01  0.617319D+01 -0.882451D+01 -0.217312D+02  0.799296D+01
                66            67            68            69            70 
      1  -0.100292D+02 -0.580972D+01 -0.149038D+01 -0.228710D+01 -0.843347D+01
      2   0.119475D+02  0.162579D+01 -0.498363D+01  0.182707D+02  0.109846D+02
      3  -0.191838D+01  0.418394D+01  0.647401D+01 -0.159836D+02 -0.255113D+01
      4  -0.195111D+02 -0.695871D+01  0.181692D+01  0.922680D+01 -0.171089D+02
      5  -0.186517D+02 -0.459979D+01  0.762769D+01  0.563246D+00 -0.155463D+02
      6  -0.743025D+00  0.776709D+01  0.143402D+02 -0.673484D+01 -0.325514D+00
                71            72            73            74            75 
      1  -0.590290D+01  0.377664D+01  0.108088D+03  0.136863D+02 -0.422554D+01
      2   0.218639D+02 -0.784792D+01 -0.523986D+02 -0.343549D+01  0.314722D+01
      3  -0.159610D+02  0.407128D+01 -0.556893D+02 -0.102508D+02  0.107831D+01
      4   0.101159D+02 -0.471153D+01  0.193920D+02  0.203415D+02 -0.231721D+01
      5  -0.955750D+00 -0.159352D+01 -0.827937D+01 -0.307772D+01  0.183223D+02
      6  -0.107378D+02 -0.713548D+01 -0.524979D+01 -0.223878D+01  0.407321D+01
                76            77            78            79            80 
      1   0.166797D+02  0.140897D+02 -0.302669D+01  0.161162D+01 -0.230018D+01
      2  -0.694875D+01 -0.204521D+01  0.167435D+01  0.197726D+01  0.921881D+00
      3  -0.973093D+01 -0.120445D+02  0.135235D+01 -0.358888D+01  0.137830D+01
      4   0.249511D+02  0.129173D+02 -0.315219D+01 -0.342592D+01 -0.181225D+01
      5  -0.498942D+01 -0.376590D+01  0.536474D+01  0.208851D+02  0.479317D+01
      6  -0.357789D+01 -0.225550D+01  0.512332D+01  0.272622D+01  0.388451D+01
                81            82            83            84            85 
      1   0.109206D+02 -0.422642D+01 -0.123200D+02 -0.264785D+02 -0.186850D+02
      2  -0.988887D+01  0.484740D+01  0.899545D+01  0.136968D+02  0.156515D+02
      3  -0.103170D+01 -0.620982D+00  0.332460D+01  0.127816D+02  0.303350D+01
      4   0.417312D+01 -0.113652D+02 -0.638335D+01  0.137898D+01 -0.111738D+02
      5  -0.462521D+01 -0.270061D+02 -0.956932D+00 -0.112523D+02 -0.464871D+01
      6  -0.103853D+01  0.468660D+01  0.104309D+01  0.917641D+00  0.164568D+01
                86            87            88            89            90 
      1  -0.155059D+01 -0.416318D+00 -0.331070D+02 -0.342290D+00 -0.148030D+02
      2  -0.101107D+02 -0.257088D+01  0.169346D+02 -0.317353D+01  0.115236D+02
      3   0.116613D+02  0.298720D+01  0.161724D+02  0.351582D+01  0.327939D+01
      4   0.281601D+02  0.749189D+01 -0.110290D+01  0.690343D+01 -0.100911D+02
      5   0.770024D+01 -0.129100D+02 -0.167817D+02 -0.118564D+02  0.953661D+01
      6  -0.606209D+01  0.159912D+01  0.983969D+00  0.169298D+01 -0.132335D+01
                91            92            93            94            95 
      1   0.118613D+02 -0.220910D+01 -0.933980D+01 -0.428374D+01  0.395933D+01
      2   0.114963D+02  0.861256D+01  0.146456D+02  0.119951D+02 -0.253474D+02
      3  -0.233576D+02 -0.640346D+01 -0.530585D+01 -0.771132D+01  0.213881D+02
      4  -0.573293D+01 -0.214623D+01  0.715421D+01 -0.270823D+01  0.153872D+02
      5  -0.444470D+01 -0.214477D+01 -0.239417D+02 -0.519902D+01 -0.311702D+01
      6   0.552145D+01 -0.272444D+01 -0.356708D+01 -0.439047D+01  0.125452D+02
                96            97            98            99           100 
      1   0.594969D+01 -0.834411D+01  0.723913D+01 -0.102971D+02 -0.200059D+01
      2   0.835885D+01  0.141508D+02  0.838408D+00  0.148705D+02 -0.962839D+01
      3  -0.143085D+02 -0.580672D+01 -0.807753D+01 -0.457341D+01  0.116290D+02
      4   0.160852D+01  0.615287D+01  0.434547D+01 -0.275903D+01 -0.127607D+01
      5  -0.108007D+02 -0.221835D+02 -0.724941D+01 -0.103190D+02 -0.104381D+02
      6   0.880624D+01 -0.137328D+01  0.101441D+02 -0.107436D+02 -0.168619D+00
               101           102           103           104           105 
      1  -0.336668D+00  0.778683D+01  0.296850D+01 -0.315382D+01 -0.840763D+01
      2   0.418884D+01  0.121171D+02  0.343246D+01 -0.161724D+01 -0.692243D+01
      3  -0.385217D+01 -0.199040D+02 -0.640096D+01  0.477106D+01  0.153301D+02
      4   0.215636D+01 -0.168164D+00  0.167063D+01 -0.113072D+01 -0.125660D+01
      5   0.225536D+01  0.156698D+02  0.281863D+01 -0.377292D+01 -0.482696D+01
      6  -0.446150D+01 -0.900284D+00 -0.257712D+01  0.507666D+01  0.646908D+01
               106           107           108           109           110 
      1   0.484898D+01 -0.242492D+01 -0.182574D+02  0.332462D+01  0.185154D+01
      2   0.795584D+01 -0.362029D+01 -0.229627D+02 -0.124454D+02  0.136743D+01
      3  -0.128048D+02  0.604521D+01  0.412201D+02  0.912080D+01 -0.321897D+01
      4  -0.138962D+00 -0.134290D+01 -0.120224D+01 -0.922614D+01  0.563455D+01
      5   0.118670D+02 -0.340144D+01 -0.147555D+02  0.227657D+02 -0.533749D+01
      6  -0.958915D+00  0.556402D+01  0.125903D+01 -0.771816D+01  0.736311D+01
               111           112           113           114           115 
      1  -0.258368D+01  0.150936D+01 -0.170276D+01  0.219006D+01 -0.197838D+01
      2  -0.107982D+02  0.121965D+01  0.142300D+01  0.122084D+00 -0.652502D+01
      3   0.133819D+02 -0.272901D+01  0.279763D+00 -0.231214D+01  0.850339D+01
      4  -0.720178D+01  0.612247D+01 -0.263135D+01  0.374007D+01 -0.423199D+01
      5   0.211300D+02 -0.463828D+01  0.424595D+01 -0.493675D+01  0.136380D+02
      6  -0.938614D+01  0.559173D+01 -0.569912D+01  0.775418D+01 -0.607269D+01
               116           117           118           119           120 
      1   0.169846D+01 -0.717966D+01 -0.293011D+01  0.122126D+02 -0.389985D+01
      2   0.317582D+00 -0.123201D+02  0.900541D+01 -0.220070D+02  0.288910D+01
      3  -0.201604D+01  0.194998D+02 -0.607530D+01  0.979434D+01  0.101074D+01
      4   0.203117D+01 -0.518832D+01 -0.546624D+01  0.120261D+02 -0.326983D+01
      5  -0.421924D+01  0.140829D+02  0.119656D+01 -0.394441D+01  0.233533D+01
      6   0.513863D+01 -0.816071D+01 -0.553817D+01  0.894699D+01 -0.503981D+01
               121           122           123           124           125 
      1   0.696309D+01 -0.315918D+02  0.653495D+01 -0.134480D+01  0.384732D+01
      2  -0.115438D+02  0.571655D+02 -0.878566D+01  0.141803D+00 -0.334946D+01
      3   0.458073D+01 -0.255736D+02  0.225072D+01  0.120300D+01 -0.497858D+00
      4   0.893095D+01 -0.785903D+01  0.692257D+00 -0.160169D+01  0.445765D+00
      5  -0.298736D+01  0.250092D+01 -0.641473D+00  0.208692D+01 -0.789047D+00
      6   0.363165D+01 -0.212425D+02  0.109641D+02 -0.252854D+01  0.106708D+02
               126           127           128           129           130 
      1  -0.511556D+01  0.179295D+02  0.308763D+01 -0.196344D+01  0.133566D+01
      2   0.493467D+01 -0.247609D+01  0.506361D+01  0.504388D+00  0.326466D+01
      3   0.180885D+00 -0.154534D+02 -0.815124D+01  0.145905D+01 -0.460031D+01
      4  -0.226698D+01  0.309526D+02  0.200183D+02 -0.115019D+02  0.123099D+02
      5   0.994101D+00 -0.186592D+02 -0.913672D+01  0.104104D+02 -0.426001D+01
      6  -0.358914D+01 -0.142411D+02 -0.996936D+01  0.108074D+02 -0.556122D+01
               131           132           133           134           135 
      1  -0.137168D+01  0.731420D+00 -0.203715D+01  0.930402D+00  0.837072D+00
      2   0.879929D+01 -0.322985D+01  0.190094D+01 -0.242368D+01 -0.311668D+01
      3  -0.742761D+01  0.249843D+01  0.136212D+00  0.149328D+01  0.227960D+01
      4   0.936972D+01 -0.465559D+01 -0.881899D+01 -0.564018D+01  0.716573D+01
      5  -0.430105D+01  0.278008D+01  0.107043D+02  0.484717D+01 -0.716296D+01
      6  -0.763206D+01  0.461894D+01  0.847852D+01  0.694338D+01 -0.721758D+01
               136           137           138           139           140 
      1  -0.101974D+01  0.112105D+01  0.229904D-02  0.193578D+01 -0.334994D+01
      2  -0.408211D+01 -0.108384D+01  0.468649D+01 -0.299820D+01  0.115716D+01
      3   0.510185D+01 -0.372078D-01 -0.468879D+01  0.106242D+01  0.219278D+01
      4  -0.149617D+01  0.439726D+01  0.388145D+01  0.120638D+01 -0.247546D+01
      5  -0.542320D+01  0.166815D+01  0.110766D+02 -0.223856D+01 -0.209829D+01
      6   0.223228D+01 -0.251450D+01 -0.285992D+01 -0.125763D+01  0.192230D+01
               141           142           143           144           145 
      1   0.106520D+00 -0.746340D+00 -0.546720D+01 -0.242090D+02  0.609718D+01
      2   0.614475D+01  0.555987D+01  0.537563D+00 -0.230508D+02  0.580808D+01
      3  -0.625127D+01 -0.481353D+01  0.492964D+01  0.472598D+02 -0.119053D+02
      4  -0.127938D+01  0.385445D+01 -0.305360D+01 -0.733029D+01 -0.176031D+02
      5   0.354473D+01  0.950991D+01 -0.341248D+01 -0.216957D+02 -0.441710D+01
      6   0.480708D+01 -0.443385D+01  0.875835D+01  0.216554D+02  0.423593D+01
               146           147           148           149           150 
      1  -0.457688D-01  0.143057D+01  0.370271D+00 -0.128920D+02 -0.196317D+01
      2  -0.115831D+02 -0.158642D+01 -0.114144D+02  0.354727D+02  0.172041D+01
      3   0.116289D+02  0.155854D+00  0.110441D+02 -0.225807D+02  0.242764D+00
      4   0.224060D+02  0.382479D+01  0.181429D+02 -0.293451D+02 -0.299118D+01
      5   0.618518D+01  0.415116D+01  0.435579D+01 -0.452395D+01 -0.318668D+01
      6  -0.730796D+01 -0.428528D+01 -0.606463D+01  0.123947D+02  0.657374D+01
               151           152           153           154           155 
      1   0.254301D+01 -0.389461D+00 -0.375618D+01  0.594789D+01 -0.247663D+00
      2   0.103115D+01 -0.575889D+01  0.151645D+01 -0.450319D+00  0.541931D+01
      3  -0.357416D+01  0.614835D+01  0.223973D+01 -0.549757D+01 -0.517164D+01
      4  -0.374524D+01  0.461917D+01 -0.418469D+01  0.168744D+02  0.159720D+02
      5   0.144675D+01 -0.267949D+01 -0.151199D+01  0.146513D+02  0.922316D+01
      6  -0.238623D+01  0.482957D+01  0.237514D+01  0.115383D+02  0.997349D+01
               156           157           158           159           160 
      1   0.126411D+01 -0.184550D+01 -0.528523D+01 -0.358749D+01  0.500074D+00
      2  -0.110372D+01  0.586454D+01  0.113825D+02  0.481154D+01 -0.152782D+01
      3  -0.160391D+00 -0.401904D+01 -0.609727D+01 -0.122405D+01  0.102775D+01
      4   0.114513D+02  0.126042D+02  0.132921D+02  0.829383D+01  0.100280D+02
      5   0.126893D+02  0.590141D+01  0.791015D+01  0.578730D+01  0.123535D+02
      6   0.995885D+01  0.819285D+01  0.119412D+02  0.124041D+02  0.996401D+01
               161           162           163           164           165 
      1  -0.427926D+01 -0.550914D+01  0.909482D+01 -0.171313D+01  0.163623D+01
      2   0.333112D+01 -0.302908D+00 -0.935287D+01  0.481878D+01 -0.800697D+01
      3   0.948144D+00  0.581205D+01  0.258043D+00 -0.310566D+01  0.637074D+01
      4   0.928832D+01  0.111174D+02  0.211902D+02  0.129922D+02  0.148929D+02
      5   0.849186D+01  0.138241D+02  0.217688D+02  0.825619D+01  0.188556D+02
      6   0.147030D+02  0.165001D+02  0.148619D+02  0.920814D+01  0.136360D+02
               166           167           168           169           170 
      1  -0.763766D+00 -0.764847D+00 -0.110822D+01  0.195859D+01 -0.246463D+01
      2   0.332949D+01  0.272205D+01  0.154731D+01 -0.759148D+01  0.292543D-01
      3  -0.256573D+01 -0.195720D+01 -0.439096D+00  0.563288D+01  0.243538D+01
      4   0.666042D+01  0.509444D+01  0.310701D+01  0.125924D+02  0.522172D+01
      5   0.207359D+01  0.348333D+01  0.118947D+01  0.160805D+02  0.515785D+01
      6   0.397699D+01  0.302568D+01  0.545966D+01  0.102814D+02  0.105355D+02
               171           172           173           174           175 
      1  -0.404092D+01 -0.698570D+00  0.166152D+00  0.577837D+00 -0.527492D+00
      2  -0.646216D+01  0.335137D+01  0.450409D+01 -0.292925D+01  0.491763D+01
      3   0.105031D+02 -0.265280D+01 -0.467024D+01  0.235141D+01 -0.439014D+01
      4   0.103433D+02  0.465750D+01  0.902079D+01 -0.130034D+01  0.784218D+01
      5   0.154670D+02  0.547635D+00  0.380379D+00  0.386711D+01  0.420674D+00
      6   0.147480D+02  0.422914D+00 -0.161428D+01  0.165565D+01 -0.146064D+01
               176           177           178           179           180 
      1  -0.145483D+02  0.410929D+01  0.481653D+00  0.929064D+01 -0.386997D+01
      2   0.364920D+02 -0.138286D+02 -0.406090D+01 -0.238475D+02  0.101602D+02
      3  -0.219437D+02  0.971929D+01  0.357925D+01  0.145569D+02 -0.629028D+01
      4   0.999252D+01 -0.409552D+01 -0.429348D+01 -0.810208D+01  0.375731D+01
      5  -0.239667D+01  0.178253D+01  0.240581D+01  0.243025D+01 -0.275532D+01
      6  -0.632865D+01  0.963685D+01  0.123648D+01  0.879173D+01 -0.120460D+02
               181           182           183           184           185 
      1  -0.333723D+01  0.989596D+01  0.949679D+01  0.481414D+01 -0.883422D+01
      2   0.523717D+00 -0.105127D+02 -0.245967D+01 -0.536807D+01  0.109895D+02
      3   0.281352D+01  0.616777D+00 -0.703712D+01  0.553930D+00 -0.215530D+01
      4  -0.138767D+02  0.923711D+01  0.102594D+02  0.663160D+01 -0.694985D+01
      5  -0.960045D+01  0.591980D+01  0.916580D+01  0.296125D+01 -0.473593D+01
      6   0.118077D+02 -0.136670D+02 -0.139621D+02 -0.714331D+01  0.995860D+01
               186           187           188           189           190 
      1  -0.620788D+01  0.626098D+01 -0.894661D+01 -0.123650D+02  0.670248D+01
      2   0.394523D+01 -0.163247D+01  0.426912D+01  0.111512D+01 -0.563972D+01
      3   0.226265D+01 -0.462850D+01  0.467749D+01  0.112499D+02 -0.106276D+01
      4  -0.536132D+01  0.917403D+01 -0.576386D+01 -0.636577D+01  0.333662D+01
      5  -0.267838D+01  0.836534D+01 -0.323866D+01 -0.600661D+01 -0.548079D+01
      6   0.108809D+02 -0.835962D+01  0.151952D+02  0.179939D+02 -0.107120D+01
               191           192           193           194           195 
      1   0.407117D+01 -0.383185D+01  0.929822D+01 -0.245949D-01 -0.146132D+01
      2  -0.278218D+01  0.458147D+01 -0.606160D+01  0.853490D+00  0.286059D+01
      3  -0.128899D+01 -0.749622D+00 -0.323662D+01 -0.828895D+00 -0.139927D+01
      4   0.302814D+01 -0.221173D+01  0.370635D+01  0.327122D+01 -0.608138D+01
      5  -0.315746D+01  0.109364D+02 -0.399898D+01 -0.598803D+01  0.944387D+01
      6  -0.592167D+00 -0.802571D-01 -0.357948D+00 -0.154433D+01  0.211170D+01
               196           197           198           199           200 
      1  -0.979927D+01 -0.498645D-01  0.504141D+01  0.689042D+01 -0.508519D+01
      2   0.774261D+01  0.259078D+01 -0.126324D+02 -0.468308D+00  0.868972D-01
      3   0.205666D+01 -0.254091D+01  0.759099D+01 -0.642211D+01  0.499829D+01
      4  -0.638362D+00 -0.774155D+01  0.660881D+01 -0.774401D+01  0.118251D+02
      5   0.151902D+02  0.768678D+01 -0.257773D+02  0.338906D+00  0.263696D+01
      6  -0.111166D+01  0.291916D+01  0.101991D+01  0.139320D+01 -0.128076D+01
               201           202           203           204           205 
      1   0.835559D+00 -0.101096D+02 -0.224543D+01  0.494197D+00  0.142715D+01
      2  -0.731707D+00 -0.195258D+01  0.206052D+02  0.174551D+01 -0.104648D+01
      3  -0.103852D+00  0.120622D+02 -0.183598D+02 -0.223971D+01 -0.380671D+00
      4   0.227735D+01  0.212817D+02 -0.389897D+02 -0.616318D+01  0.298337D+01
      5   0.337587D+01  0.419944D+01 -0.559094D+01 -0.570052D+01  0.586786D+01
      6  -0.991715D+00 -0.256773D+01  0.729190D+01  0.630731D+01 -0.237047D+01
               206           207           208           209           210 
      1  -0.175131D+00  0.917072D+00  0.523628D+02  0.621720D+01  0.167021D+02
      2   0.167003D+01  0.294837D+00 -0.284059D+02 -0.372414D+01 -0.982581D+01
      3  -0.149490D+01 -0.121191D+01 -0.239569D+02 -0.249305D+01 -0.687630D+01
      4  -0.522838D+01 -0.402304D+01  0.272743D+01  0.787840D+01  0.106866D+01
      5  -0.424545D+01 -0.365224D+01  0.196600D+02  0.220570D+01  0.142102D+02
      6   0.608979D+01  0.245144D+01 -0.198357D+01  0.501086D+00 -0.148562D+01
               211           212           213           214           215 
      1   0.152131D+02  0.605425D+01  0.380435D+01  0.305564D+02  0.243120D+01
      2  -0.874093D+01 -0.146978D+01 -0.204411D+01 -0.178130D+02 -0.145124D+01
      3  -0.647217D+01 -0.458448D+01 -0.176024D+01 -0.127434D+02 -0.979967D+00
      4   0.106295D+02  0.198365D+01  0.312116D+01  0.911799D+00  0.541085D+01
      5   0.580217D+01  0.308702D+01  0.588899D+01  0.210367D+02  0.343319D+01
      6   0.110516D+01  0.146236D+01  0.165258D+01 -0.132525D+01  0.171802D+01
               216           217           218           219           220 
      1   0.128615D+02 -0.557608D+01 -0.413893D+01  0.114009D+02 -0.851143D+00
      2  -0.109495D+02 -0.445617D+01  0.113794D+01  0.357436D+01 -0.596082D+00
      3  -0.191194D+01  0.100323D+02  0.300099D+01 -0.149753D+02  0.144723D+01
      4   0.254412D+01  0.953900D+01  0.227700D+01 -0.531204D+01  0.248692D+01
      5   0.154928D+02 -0.158752D+02 -0.327912D+00  0.102559D+02  0.339784D+00
      6  -0.119466D+01 -0.383147D+01 -0.678333D+01  0.885757D+01 -0.335344D+01
               221           222           223           224           225 
      1  -0.246347D+01  0.537918D+00  0.702029D+01  0.131442D+01 -0.891086D+01
      2   0.344576D+01 -0.231251D+01  0.221577D+01 -0.605652D+00 -0.765687D+01
      3  -0.982293D+00  0.177459D+01 -0.923606D+01 -0.708768D+00  0.165677D+02
      4  -0.123098D+00 -0.102035D+01 -0.466948D+01 -0.141124D+01  0.370360D+01
      5  -0.222447D+01  0.247414D+01  0.107620D+02  0.140508D+01 -0.603367D+01
      6  -0.235352D+01  0.267106D+01  0.408645D+01  0.344528D+01 -0.556789D+01
               226           227           228           229           230 
      1   0.813222D+01  0.179696D+01  0.161149D+01  0.291958D+01 -0.570203D+00
      2  -0.172756D+02 -0.321199D+01 -0.180927D+02 -0.659853D+01 -0.304303D+00
      3   0.914340D+01  0.141503D+01  0.164812D+02  0.367895D+01  0.874506D+00
      4  -0.407772D+01  0.405664D+01 -0.464488D+01  0.248130D+01  0.101998D+00
      5   0.235053D+02  0.725914D+00  0.259760D+02  0.743278D+01  0.477986D+01
      6  -0.230113D+01  0.541065D+01 -0.378440D+01  0.375225D+01  0.134638D+01
               231           232           233           234           235 
      1  -0.143602D+01  0.128923D+01  0.135421D+00 -0.724076D+01 -0.213453D+00
      2  -0.835788D+01 -0.144819D+02 -0.229781D+01 -0.244184D+02  0.199604D+01
      3   0.979390D+01  0.131926D+02  0.216238D+01  0.316591D+02 -0.178258D+01
      4   0.213372D+01 -0.399300D+01  0.200406D+01 -0.293315D+01 -0.485587D+01
      5   0.872182D+01  0.207660D+02  0.144492D+01  0.269098D+02  0.260647D+01
      6   0.409411D+01 -0.229713D+01  0.501070D+01 -0.484024D+01 -0.337669D+01
               236           237           238           239           240 
      1  -0.733643D+00 -0.256356D-01  0.249650D-01 -0.184382D+02  0.543998D+01
      2  -0.439826D+01 -0.154293D+01 -0.575030D+01  0.395348D+02 -0.218422D+01
      3   0.513190D+01  0.156857D+01  0.572534D+01 -0.210966D+02 -0.325576D+01
      4   0.948068D+01 -0.186865D+01  0.101589D+02 -0.200710D+02  0.323710D+01
      5  -0.347536D+01  0.484214D+01 -0.429520D+01  0.589875D+01 -0.308121D+01
      6   0.462811D+01 -0.125575D+01  0.550770D+01 -0.268492D+02  0.105937D+02
               241           242           243 
      1  -0.402994D+00  0.513225D+00 -0.140344D+01
      2  -0.183095D+01  0.387146D+01  0.155357D+01
      3   0.223395D+01 -0.438469D+01 -0.150122D+00
      4   0.937940D+00 -0.205223D+01 -0.125056D+01
      5   0.263329D+01 -0.566421D+00  0.109652D+01
      6  -0.417615D+00  0.404938D+01 -0.363864D+00
 Leave Link  716 at Fri Jul  9 21:53:29 2021, MaxMem= 17179869184 cpu:               0.6 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.122475D+03  0.978043D+00 -0.345238D+00
      2   0.978043D+00  0.117851D+03  0.170587D+01
      3  -0.345238D+00  0.170587D+01  0.114002D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.148325D+00 -0.457714D+01  0.181770D+01
      2   0.208949D+01 -0.481580D+01  0.211907D+02
      3   0.534448D+01 -0.170458D+02  0.574117D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.273038D+02 -0.140725D+02  0.117566D+02
      2  -0.173924D+02  0.753200D+01 -0.876024D+01
      3  -0.991136D+01  0.654046D+01 -0.299635D+01
      4  -0.167275D+02  0.337400D+02 -0.182695D+02
      5   0.945389D+01 -0.185160D+02  0.440229D+02
      6  -0.112109D+02 -0.144234D+02 -0.377939D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.188847D+01  0.171042D+01  0.625969D+01  0.980725D+00  0.273440D+01
      2   0.171042D+01  0.332409D+01  0.416186D+00  0.273440D+01 -0.642256D+01
      3   0.625969D+01  0.416186D+00  0.337849D+01  0.432863D-01 -0.175188D+01
                 6             7             8             9            10 
      1   0.432863D-01  0.765720D+01  0.740703D+00  0.222730D+01 -0.464687D+01
      2  -0.175188D+01  0.740703D+00 -0.157507D+01  0.456776D+01 -0.226589D+01
      3   0.341820D+01  0.222730D+01  0.456776D+01 -0.107982D+01 -0.480433D+01
                11            12            13            14            15 
      1  -0.226589D+01 -0.480433D+01 -0.288717D+01  0.918578D+00  0.204996D+01
      2   0.117472D+01  0.247990D+01  0.918578D+00  0.786041D+00  0.319794D+01
      3   0.247990D+01 -0.647740D+00  0.204996D+01  0.319794D+01 -0.420656D+01
                16            17            18            19            20 
      1  -0.501416D+01  0.219848D+01 -0.204579D+01  0.234453D+01 -0.439126D+00
      2   0.219848D+01  0.222774D+01 -0.307043D+01 -0.439126D+00 -0.153479D+01
      3  -0.204579D+01 -0.307043D+01 -0.238384D+01  0.448839D+01 -0.280639D+01
                21            22            23            24            25 
      1   0.448839D+01  0.699225D+00 -0.278314D+00 -0.381301D+01  0.271783D+01
      2  -0.280639D+01 -0.278314D+00  0.557604D+00 -0.234114D+01 -0.251317D+01
      3  -0.656168D+00 -0.381301D+01 -0.234114D+01  0.248899D+01 -0.253430D+00
                26            27            28            29            30 
      1  -0.251317D+01 -0.253430D+00 -0.396840D+01 -0.259678D+01  0.254015D+01
      2  -0.357434D+01  0.168459D+01 -0.259678D+01  0.412077D+01  0.902629D+00
      3   0.168459D+01  0.260161D+01  0.254015D+01  0.902629D+00 -0.236583D+00
                31            32            33            34            35 
      1  -0.881709D+00  0.313143D+01  0.101636D+01  0.189128D+01  0.103172D+01
      2   0.313143D+01 -0.365478D+01  0.211399D+01  0.103172D+01  0.151468D+01
      3   0.101636D+01  0.211399D+01  0.206519D+01 -0.106229D+00  0.158252D+01
                36            37            38            39            40 
      1  -0.106229D+00  0.805381D+00 -0.142518D+01 -0.436171D+01  0.368908D+00
      2   0.158252D+01 -0.142518D+01 -0.327767D+01 -0.157955D+01 -0.469808D+01
      3  -0.285338D+01 -0.436171D+01 -0.157955D+01 -0.177740D+01 -0.192242D+01
                41            42            43            44            45 
      1  -0.469808D+01 -0.192242D+01 -0.342317D+01 -0.168252D+01 -0.195664D+01
      2   0.547082D+01 -0.162997D+01 -0.168252D+01  0.492307D-01 -0.385432D+01
      3  -0.162997D+01 -0.253657D+01 -0.195664D+01 -0.385432D+01  0.197020D+01
                46            47            48            49            50 
      1   0.734444D+01  0.352520D+01  0.565442D+00  0.323634D+01 -0.127920D+01
      2   0.352520D+01 -0.490654D+01 -0.387938D+01 -0.127920D+01 -0.104359D+01
      3   0.565442D+00 -0.387938D+01 -0.326890D+01 -0.198661D+01 -0.114557D+01
                51            52            53            54            55 
      1  -0.198661D+01  0.636653D+00 -0.147113D+01 -0.119547D+00 -0.135039D+01
      2  -0.114557D+01 -0.147113D+01 -0.434728D+00  0.499691D+00 -0.118930D+01
      3   0.175872D+00 -0.119547D+00  0.499691D+00  0.222939D+01  0.125735D+01
                56            57            58            59            60 
      1  -0.118930D+01  0.125735D+01 -0.161993D+01  0.395919D+01  0.113982D+01
      2   0.502277D+01  0.162208D+01  0.395919D+01 -0.288274D+01  0.153824D+01
      3   0.162208D+01  0.160035D+01  0.113982D+01  0.153824D+01  0.211490D+01
                61            62            63            64            65 
      1   0.432727D+00 -0.462723D+00  0.131320D+01  0.170686D+01  0.225967D+01
      2  -0.462723D+00  0.201184D+01  0.797869D+00  0.225967D+01 -0.323527D+00
      3   0.131320D+01  0.797869D+00 -0.557753D+01  0.502489D+01 -0.135621D+01
                66            67            68            69            70 
      1   0.502489D+01  0.127850D+01 -0.853565D+00 -0.140542D+01  0.400465D+01
      2  -0.135621D+01 -0.853565D+00 -0.454136D+00 -0.314154D+01 -0.158500D+01
      3   0.939703D+00 -0.140542D+01 -0.314154D+01  0.241558D+01  0.884743D+00
                71            72            73            74            75 
      1  -0.158500D+01  0.884743D+00 -0.160290D+02 -0.318439D+01  0.103977D+01
      2  -0.323106D+01  0.326094D+01 -0.318439D+01 -0.375986D+00  0.129914D+01
      3   0.326094D+01  0.970392D+00  0.103977D+01  0.129914D+01 -0.243837D+00
                76            77            78            79            80 
      1  -0.339360D+01 -0.343377D+01  0.599002D+00  0.306146D+00  0.242600D+00
      2  -0.343377D+01 -0.181814D+01  0.780903D+00  0.242600D+00  0.108910D+00
      3   0.599002D+00  0.780903D+00 -0.203864D+00 -0.300670D+01 -0.861143D+00
                81            82            83            84            85 
      1  -0.300670D+01 -0.108657D+01 -0.189796D+01 -0.460703D+01 -0.252056D+01
      2  -0.861143D+00 -0.189796D+01 -0.138372D+01 -0.323454D+00 -0.251552D+01
      3  -0.120635D+00 -0.460703D+01 -0.323454D+00 -0.180432D+01 -0.427856D+00
                86            87            88            89            90 
      1  -0.251552D+01 -0.427856D+00 -0.575967D+01 -0.399533D+00 -0.252567D+01
      2   0.569559D+01  0.188556D+01 -0.399533D+00  0.168100D+01 -0.281127D+01
      3   0.188556D+01 -0.301167D+01 -0.252567D+01 -0.281127D+01  0.243896D+01
                91            92            93            94            95 
      1   0.188862D+01 -0.464312D+00 -0.519764D+01 -0.999110D+00 -0.186381D+01
      2  -0.464312D+00 -0.170834D+01 -0.564223D+00 -0.186381D+01  0.576032D+01
      3  -0.519764D+01 -0.564223D+00 -0.207924D+01 -0.925187D+00  0.116746D+01
                96            97            98            99           100 
      1  -0.925187D+00 -0.451815D+01 -0.885837D+00 -0.189851D+01  0.228055D+01
      2   0.116746D+01 -0.885837D+00  0.229582D+01 -0.307660D+01 -0.381978D+00
      3  -0.371724D+01 -0.189851D+01 -0.307660D+01 -0.246690D+00 -0.246629D+01
               101           102           103           104           105 
      1  -0.381978D+00 -0.246629D+01 -0.101478D+01  0.675755D+00  0.137492D+01
      2   0.113686D+01  0.696298D+00  0.675755D+00 -0.109058D+01 -0.103882D+01
      3   0.696298D+00  0.347721D+01  0.137492D+01 -0.103882D+01 -0.267924D+01
               106           107           108           109           110 
      1  -0.177380D+01  0.455662D+00  0.224650D+01 -0.451405D+01  0.106470D+01
      2   0.455662D+00 -0.770082D+00 -0.101381D+01  0.106470D+01 -0.132221D+01
      3   0.224650D+01 -0.101381D+01 -0.669387D+01 -0.366173D+01  0.135311D+01
               111           112           113           114           115 
      1  -0.366173D+01  0.848489D+00 -0.935403D+00  0.890250D+00 -0.201829D+01
      2   0.135311D+01 -0.935403D+00  0.972631D+00 -0.954737D+00  0.762879D+00
      3  -0.386701D+01  0.890250D+00 -0.954737D+00  0.827667D+00 -0.213175D+01
               116           117           118           119           120 
      1   0.762879D+00 -0.213175D+01 -0.937496D+00  0.211423D+01 -0.666205D+00
      2  -0.574406D+00  0.731070D+00  0.211423D+01 -0.402425D+01  0.784923D+00
      3   0.731070D+00 -0.391327D+01 -0.666205D+00  0.784923D+00 -0.842873D+00
               121           122           123           124           125 
      1   0.142031D+01 -0.193808D+01  0.265687D+00 -0.311974D+00  0.280404D-01
      2  -0.193808D+01  0.914119D+01 -0.184625D+01  0.280404D-01 -0.817323D+00
      3   0.265687D+00 -0.184625D+01  0.122794D+01 -0.391517D+00  0.107596D+01
               126           127           128           129           130 
      1  -0.391517D+00  0.661494D+01  0.291414D+01 -0.227317D+01  0.146513D+01
      2   0.107596D+01  0.291414D+01  0.246589D+01 -0.128921D+01  0.144060D+01
      3  -0.419700D+00 -0.227317D+01 -0.128921D+01  0.194895D+01 -0.711150D+00
               131           132           133           134           135 
      1   0.144060D+01 -0.711150D+00 -0.187191D+01 -0.934790D+00  0.154372D+01
      2   0.196991D+01 -0.877738D+00 -0.934790D+00 -0.104672D+01  0.771263D+00
      3  -0.877738D+00  0.377492D+00  0.154372D+01  0.771263D+00 -0.132418D+01
               136           137           138           139           140 
      1  -0.278092D+00  0.203155D+00  0.132459D+01 -0.344261D+00 -0.385854D+00
      2   0.203155D+00 -0.648860D+00 -0.464052D+00 -0.385854D+00  0.310869D+00
      3   0.132459D+01 -0.464052D+00 -0.143971D+01  0.211076D+00  0.803810D+00
               141           142           143           144           145 
      1   0.211076D+00  0.161970D+01 -0.216336D+00 -0.163585D+01 -0.289765D+01
      2   0.803810D+00 -0.216336D+00  0.137660D+01  0.109412D+01  0.285630D+01
      3  -0.100969D+01 -0.163585D+01  0.109412D+01  0.946278D+01  0.334265D+00
               146           147           148           149           150 
      1   0.285630D+01  0.334265D+00  0.286350D+01 -0.328107D+01 -0.498475D+00
      2  -0.378000D+01 -0.825184D+00 -0.328107D+01  0.751768D+01  0.525438D+00
      3  -0.825184D+00 -0.837039D+00 -0.498475D+00  0.525438D+00  0.948996D+00
               151           152           153           154           155 
      1  -0.843906D+00  0.664050D+00 -0.432274D+00  0.397600D+01  0.264177D+01
      2   0.664050D+00 -0.125489D+01  0.924571D+00  0.264177D+01  0.274878D+01
      3  -0.432274D+00  0.924571D+00  0.644944D+00  0.276204D+01  0.162121D+01
               156           157           158           159           160 
      1   0.276204D+01  0.148752D+01  0.228336D+01  0.990584D+00  0.253698D+01
      2   0.162121D+01  0.228336D+01  0.303053D+01  0.194544D+01  0.155315D+01
      3   0.244405D+01  0.990584D+00  0.194544D+01  0.185538D+01  0.241678D+01
               161           162           163           164           165 
      1   0.155315D+01  0.241678D+01 -0.501456D+01 -0.191951D+01 -0.346102D+01
      2   0.215750D+01  0.257803D+01 -0.191951D+01 -0.215909D+01 -0.129581D+01
      3   0.257803D+01  0.360811D+01 -0.346102D+01 -0.129581D+01 -0.320212D+01
               166           167           168           169           170 
      1  -0.511533D+00 -0.923335D+00 -0.154812D+00 -0.296647D+01 -0.830245D+00
      2  -0.923335D+00 -0.485880D+00 -0.407572D+00 -0.830245D+00 -0.920435D+00
      3  -0.154812D+00 -0.407572D+00 -0.317970D+00 -0.254534D+01 -0.162294D+01
               171           172           173           174           175 
      1  -0.254534D+01 -0.705341D+00 -0.118294D+01  0.575074D-02 -0.897131D+00
      2  -0.162294D+01 -0.118294D+01 -0.979550D+00  0.460051D+00 -0.878099D+00
      3  -0.349027D+01  0.575074D-02  0.460051D+00 -0.416716D+00  0.338391D+00
               176           177           178           179           180 
      1  -0.878099D+00  0.338391D+00  0.579890D+00  0.886412D+00 -0.329542D+00
      2  -0.574552D+01  0.209799D+01  0.886412D+00  0.434426D+01 -0.206821D+01
      3   0.209799D+01 -0.175129D+01 -0.329542D+00 -0.206821D+01  0.262645D+01
               181           182           183           184           185 
      1   0.293193D+01 -0.169014D+01 -0.223883D+01 -0.947299D+00  0.132249D+01
      2  -0.169014D+01  0.277550D+01  0.181345D+01  0.132249D+01 -0.198909D+01
      3  -0.223883D+01  0.181345D+01  0.245989D+01  0.853579D+00 -0.969568D+00
               186           187           188           189           190 
      1   0.853579D+00 -0.195482D+01  0.107888D+01  0.149767D+01  0.103407D+01
      2  -0.969568D+00  0.107888D+01 -0.168165D+01 -0.219916D+01  0.785985D+00
      3  -0.117559D+01  0.149767D+01 -0.219916D+01 -0.330280D+01 -0.941829D+00
               191           192           193           194           195 
      1   0.785985D+00 -0.941829D+00  0.162505D+01  0.452375D+00 -0.465144D+00
      2   0.295633D+00 -0.250844D+00  0.452375D+00  0.871544D+00 -0.138106D+01
      3  -0.250844D+00  0.127176D+01 -0.465144D+00 -0.138106D+01  0.186363D+01
               196           197           198           199           200 
      1  -0.206142D+01 -0.130737D+00  0.199853D+01  0.131496D+01 -0.120151D+01
      2  -0.130737D+00 -0.159276D+01  0.160149D+01 -0.120151D+01  0.114847D+01
      3   0.199853D+01  0.160149D+01 -0.502850D+01  0.213191D-01  0.247608D+00
               201           202           203           204           205 
      1   0.213191D-01 -0.291491D+01  0.299766D+01  0.609652D+00  0.880195D-01
      2   0.247608D+00  0.299766D+01 -0.744882D+01 -0.124143D+01  0.377152D+00
      3   0.362146D+00  0.609652D+00 -0.124143D+01 -0.102168D+01  0.777864D+00
               206           207           208           209           210 
      1   0.377152D+00  0.777864D+00  0.763105D+01  0.831671D+00  0.264887D+01
      2  -0.986389D+00 -0.826501D+00  0.831671D+00  0.939637D+00  0.230151D+00
      3  -0.826501D+00 -0.737897D+00  0.264887D+01  0.230151D+00  0.167314D+01
               211           212           213           214           215 
      1   0.257135D+01  0.149391D+01  0.755360D+00  0.540975D+01  0.375264D+00
      2   0.149391D+01  0.166507D+00  0.382780D+00  0.375264D+00  0.696632D+00
      3   0.755360D+00  0.382780D+00  0.893765D+00  0.267522D+01  0.595249D+00
               216           217           218           219           220 
      1   0.267522D+01 -0.450255D+01 -0.757846D-02  0.230461D+01  0.186502D+00
      2   0.595249D+00 -0.757846D-02 -0.124838D+01  0.955502D+00 -0.652333D+00
      3   0.214370D+01  0.230461D+01  0.955502D+00 -0.290210D+01  0.361673D+00
               221           222           223           224           225 
      1  -0.652333D+00  0.361673D+00  0.194873D+01  0.339317D+00 -0.154792D+01
      2  -0.542448D+00  0.317709D+00  0.339317D+00  0.355218D+00 -0.176331D+00
      3   0.317709D+00  0.266380D+00 -0.154792D+01 -0.176331D+00  0.280505D+01
               226           227           228           229           230 
      1   0.354995D+01  0.131745D+00  0.348836D+01  0.120005D+01  0.824212D+00
      2   0.131745D+00  0.104513D+01 -0.521653D-01  0.824212D+00  0.492090D-01
      3   0.348836D+01 -0.521653D-01  0.414009D+01  0.107600D+01  0.686957D+00
               231           232           233           234           235 
      1   0.107600D+01  0.258577D+01  0.117448D+00  0.310062D+01  0.619227D+00
      2   0.686957D+00  0.117448D+00  0.532061D+00  0.311556D+00 -0.119235D+01
      3   0.216909D+01  0.310062D+01  0.311556D+00  0.584838D+01  0.614298D+00
               236           237           238           239           240 
      1  -0.119235D+01  0.614298D+00 -0.129958D+01  0.168247D+01 -0.265503D+00
      2   0.147470D+01 -0.195761D+00  0.168247D+01 -0.872217D+01  0.128306D+01
      3  -0.195761D+00  0.525979D+00 -0.265503D+00  0.128306D+01 -0.147771D+01
               241           242           243 
      1   0.102421D+00  0.260259D+00  0.244555D+00
      2   0.260259D+00 -0.891645D+00 -0.495947D+00
      3   0.244555D+00 -0.495947D+00 -0.177577D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.181290D+01  0.129799D+01  0.202289D+01  0.250530D+01 -0.673650D+01
      2   0.105197D+02 -0.174635D+00  0.389653D+01  0.183371D+01 -0.485779D+01
      3   0.800558D+00 -0.733181D+01 -0.255764D+01  0.446714D+00  0.830784D+01
                 6             7             8             9            10 
      1  -0.343635D+01  0.476546D+01  0.382617D+01  0.223098D+01 -0.461128D+01
      2   0.318956D+01 -0.307913D+01  0.363766D+01 -0.315006D+01 -0.219889D+01
      3   0.332440D+01 -0.277035D+01  0.325764D+01 -0.402500D+01 -0.221397D+01
                11            12            13            14            15 
      1  -0.247581D+01  0.395141D+00  0.139368D+01  0.477148D+01 -0.121624D+02
      2  -0.389877D+01  0.843343D+00 -0.377874D+01 -0.242449D+00  0.173698D+01
      3  -0.232837D+01  0.484230D+01  0.779896D+01  0.374907D-01  0.110595D+01
                16            17            18            19            20 
      1  -0.603630D+01 -0.856848D+00 -0.223248D+01  0.481735D+01  0.476385D+01
      2  -0.688030D+01  0.437892D+01 -0.548521D+01  0.519327D+01 -0.127464D+01
      3   0.411294D+01  0.289014D+01 -0.262764D+00 -0.521835D+00 -0.462685D+01
                21            22            23            24            25 
      1   0.458787D+01 -0.775775D+00  0.224586D+01  0.652562D+01  0.518007D+01
      2   0.120313D+02 -0.801206D+00 -0.944681D+00 -0.859811D+01  0.399228D+01
      3   0.397351D+00  0.224300D+00 -0.110893D+00 -0.154409D+01  0.840504D+00
                26            27            28            29            30 
      1   0.110463D+02 -0.117728D+01 -0.576895D+01 -0.723240D+01 -0.121707D+01
      2  -0.826333D+01  0.712229D+00 -0.218812D+01 -0.204915D+01  0.522904D+01
      3  -0.194487D+01  0.615083D+00 -0.913543D+01 -0.133592D+02  0.658057D+01
                31            32            33            34            35 
      1  -0.633564D+01 -0.270331D+01 -0.116574D+02 -0.437164D+00 -0.597832D+01
      2  -0.342416D+00  0.527579D+01  0.341456D+01  0.745561D+00  0.254609D+01
      3  -0.367314D+01  0.128819D+02  0.527543D+00  0.549819D+01  0.185045D+01
                36            37            38            39            40 
      1   0.699372D+01  0.422283D+01  0.755158D+00  0.499139D+00  0.250032D+00
      2  -0.450717D+01 -0.623076D+01 -0.111466D+01  0.432879D+01 -0.138312D+01
      3  -0.175307D+01  0.579954D+01 -0.249949D+01 -0.426331D+01  0.618835D+01
                41            42            43            44            45 
      1   0.602480D+01  0.143611D+01 -0.857362D+00  0.915036D+01 -0.864955D+01
      2   0.213740D+01 -0.128582D+01 -0.247043D+01 -0.985097D+00  0.339677D+01
      3  -0.105881D+02 -0.164069D+01 -0.353877D+01 -0.194589D+01 -0.143468D+00
                46            47            48            49            50 
      1   0.353744D+01  0.149139D+01  0.463963D+01  0.402728D+01 -0.137754D+02
      2  -0.360230D+01  0.841694D+01 -0.108288D+01  0.687922D+01 -0.245755D+01
      3   0.613453D+00 -0.303743D-01 -0.804191D+01  0.500802D+01  0.133684D+01
                51            52            53            54            55 
      1  -0.209093D+01  0.123286D+01  0.108916D+02  0.140296D+02 -0.537301D+01
      2  -0.677637D+00 -0.101746D+02  0.155913D+01  0.536159D+01  0.294781D+01
      3  -0.310868D+01 -0.769892D+01 -0.303435D+01  0.269142D+00 -0.583431D+01
                56            57            58            59            60 
      1   0.645551D+01 -0.201365D+01  0.532538D+01 -0.589468D+01 -0.622718D+01
      2   0.715828D+00 -0.451905D+01  0.906945D+00 -0.750146D+01 -0.245553D+01
      3   0.422442D+01  0.570610D+01  0.691047D+01  0.219223D+01  0.150619D+01
                61            62            63            64            65 
      1  -0.977256D+00  0.521356D+01  0.128594D+02  0.710582D+01 -0.158887D+01
      2  -0.870110D+01 -0.596711D-01  0.780694D+01 -0.222681D+01  0.514373D+01
      3   0.395309D+01 -0.105455D+00  0.339625D+01 -0.211457D+01 -0.100183D+02
                66            67            68            69            70 
      1   0.400767D+01 -0.286270D+01 -0.764099D+01  0.849135D+01  0.338092D+01
      2   0.830233D+01  0.271260D+01  0.208551D+01 -0.414936D+01  0.271631D+01
      3  -0.137956D+02 -0.196926D+01  0.179793D+01  0.731700D+00 -0.109244D+02
                71            72            73            74            75 
      1   0.163577D+02 -0.237143D+01 -0.366786D+00 -0.447183D+00 -0.471334D+01
      2  -0.592876D+01  0.655968D+00  0.331955D+01  0.173395D+00  0.128382D+02
      3  -0.321146D+00  0.113899D+00 -0.344379D+01 -0.138727D+02  0.451179D+00
                76            77            78            79            80 
      1  -0.283365D+01  0.267746D+01 -0.135975D+01  0.971711D+00 -0.146792D+01
      2  -0.183778D+01  0.250176D+01  0.335095D+01  0.447633D+01  0.423219D+00
      3  -0.311511D+01 -0.725137D+01  0.467642D+00  0.791038D+00  0.813745D+00
                81            82            83            84            85 
      1  -0.510587D+01 -0.258819D+01 -0.500336D-03 -0.191395D+01 -0.123349D+00
      2  -0.165187D+01 -0.128904D+02 -0.605316D+00 -0.517349D+01 -0.207440D+01
      3  -0.263119D+01  0.596628D+01  0.424134D+01  0.337516D+01  0.132174D+02
                86            87            88            89            90 
      1   0.882569D+00 -0.479368D+01 -0.446101D+01 -0.665389D+00  0.336214D+01
      2   0.627533D+01 -0.858778D+01 -0.136736D+02 -0.750721D+01  0.928951D+01
      3  -0.161294D+02 -0.664083D+01  0.481670D+01 -0.596024D+01  0.104334D+02
                91            92            93            94            95 
      1  -0.919104D+01 -0.446595D+01 -0.368392D+01 -0.642898D+01  0.172346D+02
      2  -0.111444D+02 -0.721364D+00  0.137894D+02 -0.650925D-02  0.511793D+01
      3  -0.336608D+01 -0.226574D-01  0.954929D+01  0.466295D+01 -0.432302D+01
                96            97            98            99           100 
      1  -0.615377D+01 -0.410448D+01  0.308793D+01 -0.937318D+01  0.377335D+00
      2  -0.150494D+01  0.673846D+01 -0.203463D+01  0.324077D+01  0.680459D+01
      3   0.915574D-01  0.749482D+01 -0.177609D+01  0.544179D+01  0.105435D+01
               101           102           103           104           105 
      1  -0.492695D+01 -0.212329D+01 -0.353393D+00  0.390443D+01 -0.344848D+00
      2  -0.159099D+01 -0.339037D+01 -0.280205D+01  0.148650D+01  0.193235D+01
      3  -0.149090D+01 -0.989911D+00  0.730727D+00  0.260037D+00  0.155800D+00
               106           107           108           109           110 
      1  -0.150489D+01  0.529852D+01  0.300657D+01 -0.363541D+00  0.388779D+01
      2  -0.605107D+01  0.144430D+01  0.361156D+01 -0.112066D+02  0.157783D+01
      3  -0.301876D+00  0.149858D+01  0.710501D+00 -0.306308D+01 -0.188708D+01
               111           112           113           114           115 
      1  -0.340954D+00  0.105863D+01 -0.172405D+01 -0.419536D+00  0.174497D+00
      2  -0.446032D+01  0.247878D+01 -0.174574D+01  0.200848D+01 -0.549963D+01
      3  -0.171421D+01  0.156730D+01  0.195686D+00  0.654433D+00 -0.159293D+01
               116           117           118           119           120 
      1   0.182859D+01  0.463891D+00 -0.405605D+00  0.322717D+01  0.295340D+01
      2   0.157198D+01 -0.359527D+01 -0.199531D+01  0.241745D+01  0.216011D-01
      3  -0.603844D+00 -0.146680D+01 -0.501870D+01  0.660430D+01 -0.189571D+01
               121           122           123           124           125 
      1   0.194463D+01 -0.579419D+01 -0.448066D+01  0.896742D+00  0.217899D+00
      2   0.217533D+01 -0.359436D+01  0.437161D+00 -0.147196D+01  0.104100D+01
      3   0.791045D+01 -0.106312D+02  0.157521D+01 -0.967503D+00  0.722938D+00
               126           127           128           129           130 
      1  -0.591324D+00  0.304556D+01 -0.824900D+00 -0.481915D+01  0.262873D+00
      2  -0.218877D+00  0.654439D+01  0.152556D+01  0.177845D+01  0.892676D+00
      3  -0.186171D+01  0.153728D+02  0.151455D+01 -0.403965D+01  0.293977D+01
               131           132           133           134           135 
      1   0.541811D+00 -0.952293D+00 -0.271137D+01  0.131044D+01  0.189177D+01
      2   0.698423D+00  0.204893D+00 -0.225539D+01 -0.531673D+00 -0.250666D+00
      3   0.118594D+01 -0.115785D+01 -0.425775D+01 -0.823489D+00  0.313594D+01
               136           137           138           139           140 
      1  -0.139035D+01  0.371783D+00  0.265107D+01  0.299340D+00 -0.154322D+01
      2  -0.131664D+01  0.709759D+00  0.154210D+01  0.512190D+00 -0.193725D+00
      3   0.307466D+00 -0.209253D+01  0.705494D+00  0.711372D-02 -0.139937D+01
               141           142           143           144           145 
      1   0.385857D+01  0.285029D+01  0.131800D+01 -0.183627D+02  0.355904D+01
      2   0.235986D+01 -0.295062D+01 -0.121157D+01 -0.105575D+02  0.345925D+01
      3   0.957877D+00  0.255143D+01  0.194186D+01 -0.286670D+01 -0.110049D+01
               146           147           148           149           150 
      1  -0.691226D+01  0.798063D-01 -0.431281D+01  0.117939D+02 -0.225735D+01
      2  -0.364157D+01  0.226473D+01 -0.405843D+01  0.578340D+01 -0.983348D+00
      3  -0.248569D+01 -0.906770D+00  0.391491D+01  0.460843D+01 -0.452573D+00
               151           152           153           154           155 
      1   0.137635D+01 -0.333712D+01  0.486740D+00 -0.203613D+01  0.135987D+01
      2   0.944631D+00 -0.189093D+01  0.585912D+00 -0.210621D+01 -0.598047D+00
      3  -0.116184D+01 -0.120799D+01  0.278461D+00  0.542849D+01 -0.489960D+00
               156           157           158           159           160 
      1  -0.364937D+01 -0.424327D+00 -0.144350D+00 -0.394251D+01 -0.191005D+01
      2   0.185386D+01 -0.154952D+01 -0.293674D+00  0.138310D+01 -0.215845D+01
      3   0.294802D+01  0.310773D+01  0.625923D+00  0.575864D+00  0.392320D+01
               161           162           163           164           165 
      1   0.365540D+00 -0.400987D+01 -0.444082D+01  0.141358D+01 -0.587493D+01
      2   0.109552D+01  0.225789D+01 -0.548738D+01 -0.977849D+00  0.271253D+00
      3  -0.734059D+00  0.142598D+01  0.112538D+02 -0.216147D+00  0.669347D+01
               166           167           168           169           170 
      1   0.125292D+00 -0.119516D+00 -0.138810D+01 -0.448368D+01 -0.244001D+00
      2  -0.559816D+00 -0.104122D+01  0.311147D-01 -0.365769D+01 -0.931738D-01
      3   0.146580D+01  0.153818D+01  0.693284D+00  0.683789D+01  0.393763D+00
               171           172           173           174           175 
      1  -0.524518D+01  0.139844D+01  0.215426D+01 -0.122695D+01  0.201551D+01
      2  -0.359736D-01 -0.560193D+00 -0.177789D+01  0.111716D+01 -0.614477D+00
      3   0.486148D+01  0.826310D+00  0.861144D+00  0.120674D-01  0.368989D+01
               176           177           178           179           180 
      1   0.116111D+02 -0.993468D+01 -0.101779D+01 -0.914196D+01  0.114917D+02
      2  -0.288466D+01  0.220772D+01 -0.418687D+00  0.278160D+01 -0.341006D+01
      3  -0.224485D+01  0.811769D+00 -0.239917D+01  0.159431D+01 -0.122892D+01
               181           182           183           184           185 
      1  -0.265592D+01 -0.159504D+01  0.386759D+01  0.283549D+00  0.552972D+00
      2   0.740713D+01 -0.306005D+01 -0.284767D+01 -0.220616D+01  0.212592D+01
      3  -0.100576D+02  0.335856D+01  0.581769D+01  0.436119D+01 -0.321761D+01
               186           187           188           189           190 
      1  -0.285148D+01  0.183394D+01 -0.372661D+00 -0.404090D+01 -0.104691D+01
      2   0.136412D+01 -0.524223D+01  0.259384D+01  0.303572D+01 -0.213818D+01
      3  -0.247409D+01  0.601938D+01 -0.224690D+01 -0.450626D+01 -0.234749D+01
               191           192           193           194           195 
      1  -0.608088D+00  0.600281D+00 -0.186610D-01 -0.235176D+01  0.137643D+01
      2  -0.250264D+00  0.353605D+01  0.556851D+00 -0.457359D+01  0.678280D+01
      3  -0.171813D+01  0.141594D+01 -0.197945D+00 -0.446303D+01  0.503260D+01
               196           197           198           199           200 
      1   0.882610D+00  0.458730D+01 -0.380835D+01  0.300975D+00 -0.543467D+00
      2   0.945759D+00  0.611448D+01 -0.160816D+02  0.194322D+00  0.244461D+00
      3   0.635387D+00  0.655987D+01 -0.654269D+01  0.269829D+01 -0.341393D+01
               201           202           203           204           205 
      1   0.540875D+00  0.261871D-01  0.138672D+01 -0.341833D+01  0.344234D+00
      2   0.168326D+01  0.785540D+00 -0.356489D+01 -0.410704D+01  0.901100D+00
      3  -0.622116D+00 -0.251845D+01  0.208231D+02  0.334367D+01 -0.683495D+00
               206           207           208           209           210 
      1   0.740388D+00 -0.724919D+00  0.200634D+01  0.916241D+00  0.852924D+00
      2  -0.185523D+01 -0.217839D+01  0.824737D+01  0.144466D+01  0.851541D+01
      3   0.338602D+01  0.170891D+01 -0.693699D+01 -0.585478D+01 -0.274031D+01
               211           212           213           214           215 
      1   0.806241D+00  0.731579D+00 -0.266069D+00  0.223907D+01  0.169563D+01
      2   0.216183D+01  0.103890D+01  0.350808D+01  0.589783D+01  0.188224D+01
      3  -0.392973D+01 -0.189175D+01 -0.129208D+01 -0.414689D+01 -0.369755D+01
               216           217           218           219           220 
      1   0.852127D+00  0.454596D+01 -0.344560D+01 -0.230877D+01 -0.175245D+01
      2   0.762280D+01  0.156441D+02 -0.680130D+00 -0.514967D+01 -0.720946D+00
      3  -0.345899D+01  0.836258D+01 -0.188796D+01 -0.353744D+01  0.524525D+00
               221           222           223           224           225 
      1   0.386198D-01  0.221008D-01 -0.205100D+01  0.179730D+01  0.297471D+01
      2   0.213094D+01 -0.499008D+00 -0.760746D+01 -0.552822D+00  0.455299D+01
      3   0.126952D+01 -0.768262D+00 -0.338502D+01  0.266991D+00  0.231523D+01
               226           227           228           229           230 
      1   0.506129D+01  0.404165D+01  0.531990D+01  0.286270D+01  0.164120D+01
      2  -0.507325D+01 -0.875795D+00 -0.675101D+00 -0.204744D+01 -0.803813D+00
      3  -0.405645D+01 -0.319961D+01 -0.399052D+01 -0.135421D+01 -0.140271D+01
               231           232           233           234           235 
      1   0.301233D+01  0.437902D+01  0.410504D+01  0.813655D+01 -0.155274D+01
      2   0.601151D+00 -0.569802D+01 -0.159080D-01 -0.130851D-02 -0.914663D-01
      3  -0.176739D+01 -0.368480D+01 -0.192481D+01 -0.432872D+01  0.235757D+00
               236           237           238           239           240 
      1   0.293078D+01  0.867140D+00  0.321061D+01 -0.184652D+02 -0.358701D+01
      2   0.177555D+01  0.457640D+00  0.288735D+01 -0.195820D+01 -0.166431D+01
      3  -0.904330D+00 -0.255744D+00  0.332502D+01  0.708175D+01 -0.880564D+00
               241           242           243 
      1   0.535684D+00 -0.184747D+01 -0.223060D+01
      2  -0.611679D+00 -0.629576D+00 -0.835089D+00
      3   0.391185D-01  0.115037D+01  0.370259D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.112049D+02  0.440244D+01  0.154574D+02  0.575386D+01  0.791758D+01
      2  -0.699806D+00 -0.321334D+01 -0.989311D+01 -0.460920D+01 -0.129556D+01
      3   0.119047D+02 -0.118910D+01 -0.556429D+01 -0.114466D+01 -0.662201D+01
      4   0.524233D+00  0.485416D+01 -0.527623D+01  0.602802D+01 -0.125549D+02
      5   0.140824D+02 -0.108534D+01  0.885177D+01  0.876557D+00  0.519608D+00
      6  -0.795966D+01  0.241707D+01 -0.152298D+01  0.339143D+01 -0.499753D+01
                 6             7             8             9            10 
      1  -0.472559D+01  0.198767D+02 -0.298034D+01  0.105154D+02  0.947741D+00
      2  -0.380104D+01 -0.109221D+02 -0.206721D+01 -0.492915D+01 -0.798350D+00
      3   0.852663D+01 -0.895461D+01  0.504755D+01 -0.558624D+01 -0.149392D+00
      4  -0.393697D+00 -0.435914D+01  0.421528D+00  0.231701D+01  0.620504D+01
      5   0.626455D+01  0.105539D+02  0.557111D+01 -0.102951D+01 -0.203400D+01
      6  -0.405495D+01 -0.153780D+01 -0.442923D+01  0.357566D+01  0.688588D+01
                11            12            13            14            15 
      1   0.504061D+01  0.134134D+01  0.700248D+01 -0.680472D+00 -0.133693D+02
      2  -0.194492D+01  0.403705D+01  0.413452D+00  0.738133D+01 -0.367767D+01
      3  -0.309569D+01 -0.537839D+01 -0.741593D+01 -0.670086D+01  0.170469D+02
      4   0.212515D+01  0.270009D+01  0.487274D+00  0.165049D+01 -0.140239D+01
      5  -0.240082D+01  0.318564D+01 -0.244802D+01 -0.207074D+01 -0.448602D+01
      6  -0.156947D+01  0.123042D+01 -0.786493D+00  0.320305D+01 -0.373929D+01
                16            17            18            19            20 
      1  -0.154337D+02 -0.701819D+01 -0.285980D+01  0.684080D+01 -0.252940D+01
      2   0.630297D+01 -0.330673D+01  0.457222D+00  0.121031D+02 -0.115384D+02
      3   0.913074D+01  0.103249D+02  0.240257D+01 -0.189439D+02  0.140678D+02
      4   0.653466D+01 -0.432802D+01  0.247908D+01  0.404612D+01 -0.264046D+01
      5   0.165584D+01 -0.276481D+00  0.236229D+00 -0.957396D+01  0.317546D+01
      6   0.483861D-01  0.182309D+00  0.109774D+02  0.439834D+01 -0.719709D+00
                21            22            23            24            25 
      1  -0.907621D+01 -0.108370D+02 -0.597164D+01  0.139487D+02 -0.185621D+01
      2  -0.467110D+01 -0.717008D+01 -0.606410D+01  0.127278D+01 -0.592279D+01
      3   0.137473D+02  0.180071D+02  0.120357D+02 -0.152215D+02  0.777901D+01
      4   0.328846D+01 -0.239087D+01 -0.316688D+01 -0.198229D+01  0.142089D+01
      5  -0.213370D+02  0.579311D+01  0.251852D+01  0.115229D+02 -0.141513D+02
      6   0.100594D+02 -0.273261D+01 -0.437589D+01  0.638112D+01  0.762824D+01
                26            27            28            29            30 
      1   0.669750D+01  0.347664D+01 -0.504023D+01 -0.159217D+02  0.634348D+01
      2   0.103772D+01  0.123867D+02 -0.663431D+01  0.251782D+02  0.886264D+00
      3  -0.773523D+01 -0.158634D+02  0.116745D+02 -0.925652D+01 -0.722974D+01
      4  -0.189948D+01  0.382352D+01 -0.184199D+02 -0.124858D+02  0.126064D+02
      5   0.800240D+01  0.324439D+01  0.118004D+02  0.806317D+01 -0.276538D+01
      6   0.515092D+01 -0.502610D+01  0.153777D+02 -0.135521D+01 -0.525109D+01
                31            32            33            34            35 
      1  -0.975339D+01  0.157204D+02 -0.440511D-01  0.466776D+01  0.146240D+01
      2   0.170615D+02 -0.233024D+02  0.948420D+01  0.507897D+00  0.721053D+01
      3  -0.730812D+01  0.758201D+01 -0.944015D+01 -0.517565D+01 -0.867292D+01
      4  -0.366771D+01  0.123407D+02  0.185707D+01  0.100261D+02  0.310224D+01
      5   0.280867D+01 -0.343390D+01  0.184783D+00 -0.456476D+01  0.591067D+00
      6  -0.147255D+01  0.922567D+01  0.164867D+01 -0.312800D+01  0.276336D+01
                36            37            38            39            40 
      1  -0.797939D+01  0.348725D+00  0.311433D+01 -0.103001D+01  0.295688D+01
      2   0.591584D+01  0.187826D+01 -0.857661D+01 -0.308239D+01 -0.590889D+01
      3   0.206355D+01 -0.222699D+01  0.546228D+01  0.411240D+01  0.295202D+01
      4   0.275350D+01  0.190779D-01 -0.776737D+01 -0.120714D+02 -0.695903D+01
      5  -0.126883D+01 -0.622587D+01 -0.908217D+01 -0.997035D+01 -0.464945D+01
      6  -0.974041D+01 -0.130721D+02 -0.110831D+02 -0.327127D+01 -0.826850D+01
                41            42            43            44            45 
      1  -0.878442D+01 -0.605652D+00 -0.302540D+01 -0.103066D+01  0.275174D+01
      2   0.119889D+02 -0.109337D+01  0.816827D+00 -0.386881D+00 -0.815893D+01
      3  -0.320445D+01  0.169902D+01  0.220857D+01  0.141754D+01  0.540719D+01
      4  -0.300057D+01 -0.546975D+01 -0.883015D+01 -0.493770D+01 -0.120530D+02
      5  -0.568141D+01 -0.716732D+01 -0.795911D+01 -0.986466D+01 -0.613762D+01
      6   0.835696D+00 -0.851221D+01 -0.683330D+01 -0.118313D+02  0.228335D+01
                46            47            48            49            50 
      1  -0.535922D+02 -0.697319D+01  0.319255D+01 -0.186958D+02  0.182997D+01
      2   0.256208D+02 -0.192868D+01 -0.364521D+01  0.832537D+01 -0.371356D+01
      3   0.279714D+02  0.890188D+01  0.452657D+00  0.103704D+02  0.188359D+01
      4  -0.147155D+02 -0.646374D+01  0.356039D+01  0.585449D+00 -0.422863D+01
      5   0.504989D+01  0.566836D+01 -0.673496D+01  0.320132D+01  0.391899D+00
      6   0.103950D+01  0.201821D+00 -0.631690D+01  0.276042D+01 -0.538941D+01
                51            52            53            54            55 
      1   0.130232D+02  0.163375D+01  0.105978D+02  0.411046D+00  0.267095D+01
      2  -0.769694D+00  0.133868D+01 -0.602303D+01 -0.276303D+01 -0.719685D+01
      3  -0.122535D+02 -0.297243D+01 -0.457481D+01  0.235198D+01  0.452589D+01
      4   0.203378D+01 -0.766725D+00  0.346220D+01 -0.287048D+01  0.341271D+01
      5  -0.458297D+01  0.534603D+01 -0.101627D+01 -0.103872D+01 -0.124984D+01
      6  -0.301381D+01 -0.787992D+00  0.495514D+00 -0.632126D+01  0.384122D+01
                56            57            58            59            60 
      1  -0.712121D+01 -0.705621D+01  0.176455D+01 -0.242462D+01 -0.936114D+01
      2   0.170882D+02  0.188585D+01  0.986432D+01 -0.120245D+02 -0.105944D+00
      3  -0.996694D+01  0.517036D+01 -0.116289D+02  0.144491D+02  0.946708D+01
      4  -0.142622D+02  0.166770D-01 -0.858480D+01  0.181259D+02 -0.158364D+01
      5  -0.185791D+01 -0.651954D+00 -0.323910D-01  0.303727D+01 -0.514134D+00
      6   0.101951D+02  0.350733D+01  0.390400D+01  0.186611D+01  0.949952D+01
                61            62            63            64            65 
      1   0.206284D+01 -0.352356D+01  0.102868D+02  0.590007D+01 -0.598428D+01
      2  -0.597658D+01  0.868534D+01  0.167303D+02  0.412832D+01  0.282743D+01
      3   0.391373D+01 -0.516178D+01 -0.270171D+02 -0.100284D+02  0.315685D+01
      4   0.310852D+01 -0.405835D+01  0.644373D+01 -0.604353D+01 -0.972714D+01
      5   0.506558D+00  0.894424D+00  0.141341D+02 -0.961080D+01 -0.867288D+01
      6   0.179218D+01  0.617319D+01 -0.882451D+01 -0.217312D+02  0.799296D+01
                66            67            68            69            70 
      1  -0.100292D+02 -0.580972D+01 -0.149038D+01 -0.228710D+01 -0.843347D+01
      2   0.119475D+02  0.162579D+01 -0.498363D+01  0.182707D+02  0.109846D+02
      3  -0.191838D+01  0.418394D+01  0.647401D+01 -0.159836D+02 -0.255113D+01
      4  -0.195111D+02 -0.695871D+01  0.181692D+01  0.922680D+01 -0.171089D+02
      5  -0.186517D+02 -0.459979D+01  0.762769D+01  0.563246D+00 -0.155463D+02
      6  -0.743025D+00  0.776709D+01  0.143402D+02 -0.673484D+01 -0.325514D+00
                71            72            73            74            75 
      1  -0.590290D+01  0.377664D+01  0.108088D+03  0.136863D+02 -0.422554D+01
      2   0.218639D+02 -0.784792D+01 -0.523986D+02 -0.343549D+01  0.314722D+01
      3  -0.159610D+02  0.407128D+01 -0.556893D+02 -0.102508D+02  0.107831D+01
      4   0.101159D+02 -0.471153D+01  0.193920D+02  0.203415D+02 -0.231721D+01
      5  -0.955750D+00 -0.159352D+01 -0.827937D+01 -0.307772D+01  0.183223D+02
      6  -0.107378D+02 -0.713548D+01 -0.524979D+01 -0.223878D+01  0.407321D+01
                76            77            78            79            80 
      1   0.166797D+02  0.140897D+02 -0.302669D+01  0.161162D+01 -0.230018D+01
      2  -0.694875D+01 -0.204521D+01  0.167435D+01  0.197726D+01  0.921881D+00
      3  -0.973093D+01 -0.120445D+02  0.135235D+01 -0.358888D+01  0.137830D+01
      4   0.249511D+02  0.129173D+02 -0.315219D+01 -0.342592D+01 -0.181225D+01
      5  -0.498942D+01 -0.376590D+01  0.536474D+01  0.208851D+02  0.479317D+01
      6  -0.357789D+01 -0.225550D+01  0.512332D+01  0.272622D+01  0.388451D+01
                81            82            83            84            85 
      1   0.109206D+02 -0.422642D+01 -0.123200D+02 -0.264785D+02 -0.186850D+02
      2  -0.988887D+01  0.484740D+01  0.899545D+01  0.136968D+02  0.156515D+02
      3  -0.103170D+01 -0.620982D+00  0.332460D+01  0.127816D+02  0.303350D+01
      4   0.417312D+01 -0.113652D+02 -0.638335D+01  0.137898D+01 -0.111738D+02
      5  -0.462521D+01 -0.270061D+02 -0.956932D+00 -0.112523D+02 -0.464871D+01
      6  -0.103853D+01  0.468660D+01  0.104309D+01  0.917641D+00  0.164568D+01
                86            87            88            89            90 
      1  -0.155059D+01 -0.416318D+00 -0.331070D+02 -0.342290D+00 -0.148030D+02
      2  -0.101107D+02 -0.257088D+01  0.169346D+02 -0.317353D+01  0.115236D+02
      3   0.116613D+02  0.298720D+01  0.161724D+02  0.351582D+01  0.327939D+01
      4   0.281601D+02  0.749189D+01 -0.110290D+01  0.690343D+01 -0.100911D+02
      5   0.770024D+01 -0.129100D+02 -0.167817D+02 -0.118564D+02  0.953661D+01
      6  -0.606209D+01  0.159912D+01  0.983969D+00  0.169298D+01 -0.132335D+01
                91            92            93            94            95 
      1   0.118613D+02 -0.220910D+01 -0.933980D+01 -0.428374D+01  0.395933D+01
      2   0.114963D+02  0.861256D+01  0.146456D+02  0.119951D+02 -0.253474D+02
      3  -0.233576D+02 -0.640346D+01 -0.530585D+01 -0.771132D+01  0.213881D+02
      4  -0.573293D+01 -0.214623D+01  0.715421D+01 -0.270823D+01  0.153872D+02
      5  -0.444470D+01 -0.214477D+01 -0.239417D+02 -0.519902D+01 -0.311702D+01
      6   0.552145D+01 -0.272444D+01 -0.356708D+01 -0.439047D+01  0.125452D+02
                96            97            98            99           100 
      1   0.594969D+01 -0.834411D+01  0.723913D+01 -0.102971D+02 -0.200059D+01
      2   0.835885D+01  0.141508D+02  0.838408D+00  0.148705D+02 -0.962839D+01
      3  -0.143085D+02 -0.580672D+01 -0.807753D+01 -0.457341D+01  0.116290D+02
      4   0.160852D+01  0.615287D+01  0.434547D+01 -0.275903D+01 -0.127607D+01
      5  -0.108007D+02 -0.221835D+02 -0.724941D+01 -0.103190D+02 -0.104381D+02
      6   0.880624D+01 -0.137328D+01  0.101441D+02 -0.107436D+02 -0.168619D+00
               101           102           103           104           105 
      1  -0.336668D+00  0.778683D+01  0.296850D+01 -0.315382D+01 -0.840763D+01
      2   0.418884D+01  0.121171D+02  0.343246D+01 -0.161724D+01 -0.692243D+01
      3  -0.385217D+01 -0.199040D+02 -0.640096D+01  0.477106D+01  0.153301D+02
      4   0.215636D+01 -0.168164D+00  0.167063D+01 -0.113072D+01 -0.125660D+01
      5   0.225536D+01  0.156698D+02  0.281863D+01 -0.377292D+01 -0.482696D+01
      6  -0.446150D+01 -0.900284D+00 -0.257712D+01  0.507666D+01  0.646908D+01
               106           107           108           109           110 
      1   0.484898D+01 -0.242492D+01 -0.182574D+02  0.332462D+01  0.185154D+01
      2   0.795584D+01 -0.362029D+01 -0.229627D+02 -0.124454D+02  0.136743D+01
      3  -0.128048D+02  0.604521D+01  0.412201D+02  0.912080D+01 -0.321897D+01
      4  -0.138962D+00 -0.134290D+01 -0.120224D+01 -0.922614D+01  0.563455D+01
      5   0.118670D+02 -0.340144D+01 -0.147555D+02  0.227657D+02 -0.533749D+01
      6  -0.958915D+00  0.556402D+01  0.125903D+01 -0.771816D+01  0.736311D+01
               111           112           113           114           115 
      1  -0.258368D+01  0.150936D+01 -0.170276D+01  0.219006D+01 -0.197838D+01
      2  -0.107982D+02  0.121965D+01  0.142300D+01  0.122084D+00 -0.652502D+01
      3   0.133819D+02 -0.272901D+01  0.279763D+00 -0.231214D+01  0.850339D+01
      4  -0.720178D+01  0.612247D+01 -0.263135D+01  0.374007D+01 -0.423199D+01
      5   0.211300D+02 -0.463828D+01  0.424595D+01 -0.493675D+01  0.136380D+02
      6  -0.938614D+01  0.559173D+01 -0.569912D+01  0.775418D+01 -0.607269D+01
               116           117           118           119           120 
      1   0.169846D+01 -0.717966D+01 -0.293011D+01  0.122126D+02 -0.389985D+01
      2   0.317582D+00 -0.123201D+02  0.900541D+01 -0.220070D+02  0.288910D+01
      3  -0.201604D+01  0.194998D+02 -0.607530D+01  0.979434D+01  0.101074D+01
      4   0.203117D+01 -0.518832D+01 -0.546624D+01  0.120261D+02 -0.326983D+01
      5  -0.421924D+01  0.140829D+02  0.119656D+01 -0.394441D+01  0.233533D+01
      6   0.513863D+01 -0.816071D+01 -0.553817D+01  0.894699D+01 -0.503981D+01
               121           122           123           124           125 
      1   0.696309D+01 -0.315918D+02  0.653495D+01 -0.134480D+01  0.384732D+01
      2  -0.115438D+02  0.571655D+02 -0.878566D+01  0.141803D+00 -0.334946D+01
      3   0.458073D+01 -0.255736D+02  0.225072D+01  0.120300D+01 -0.497858D+00
      4   0.893095D+01 -0.785903D+01  0.692257D+00 -0.160169D+01  0.445765D+00
      5  -0.298736D+01  0.250092D+01 -0.641473D+00  0.208692D+01 -0.789047D+00
      6   0.363165D+01 -0.212425D+02  0.109641D+02 -0.252854D+01  0.106708D+02
               126           127           128           129           130 
      1  -0.511556D+01  0.179295D+02  0.308763D+01 -0.196344D+01  0.133566D+01
      2   0.493467D+01 -0.247609D+01  0.506361D+01  0.504388D+00  0.326466D+01
      3   0.180885D+00 -0.154534D+02 -0.815124D+01  0.145905D+01 -0.460031D+01
      4  -0.226698D+01  0.309526D+02  0.200183D+02 -0.115019D+02  0.123099D+02
      5   0.994101D+00 -0.186592D+02 -0.913672D+01  0.104104D+02 -0.426001D+01
      6  -0.358914D+01 -0.142411D+02 -0.996936D+01  0.108074D+02 -0.556122D+01
               131           132           133           134           135 
      1  -0.137168D+01  0.731420D+00 -0.203715D+01  0.930402D+00  0.837072D+00
      2   0.879929D+01 -0.322985D+01  0.190094D+01 -0.242368D+01 -0.311668D+01
      3  -0.742761D+01  0.249843D+01  0.136212D+00  0.149328D+01  0.227960D+01
      4   0.936972D+01 -0.465559D+01 -0.881899D+01 -0.564018D+01  0.716573D+01
      5  -0.430105D+01  0.278008D+01  0.107043D+02  0.484717D+01 -0.716296D+01
      6  -0.763206D+01  0.461894D+01  0.847852D+01  0.694338D+01 -0.721758D+01
               136           137           138           139           140 
      1  -0.101974D+01  0.112105D+01  0.229904D-02  0.193578D+01 -0.334994D+01
      2  -0.408211D+01 -0.108384D+01  0.468649D+01 -0.299820D+01  0.115716D+01
      3   0.510185D+01 -0.372078D-01 -0.468879D+01  0.106242D+01  0.219278D+01
      4  -0.149617D+01  0.439726D+01  0.388145D+01  0.120638D+01 -0.247546D+01
      5  -0.542320D+01  0.166815D+01  0.110766D+02 -0.223856D+01 -0.209829D+01
      6   0.223228D+01 -0.251450D+01 -0.285992D+01 -0.125763D+01  0.192230D+01
               141           142           143           144           145 
      1   0.106520D+00 -0.746340D+00 -0.546720D+01 -0.242090D+02  0.609718D+01
      2   0.614475D+01  0.555987D+01  0.537563D+00 -0.230508D+02  0.580808D+01
      3  -0.625127D+01 -0.481353D+01  0.492964D+01  0.472598D+02 -0.119053D+02
      4  -0.127938D+01  0.385445D+01 -0.305360D+01 -0.733029D+01 -0.176031D+02
      5   0.354473D+01  0.950991D+01 -0.341248D+01 -0.216957D+02 -0.441710D+01
      6   0.480708D+01 -0.443385D+01  0.875835D+01  0.216554D+02  0.423593D+01
               146           147           148           149           150 
      1  -0.457688D-01  0.143057D+01  0.370271D+00 -0.128920D+02 -0.196317D+01
      2  -0.115831D+02 -0.158642D+01 -0.114144D+02  0.354727D+02  0.172041D+01
      3   0.116289D+02  0.155854D+00  0.110441D+02 -0.225807D+02  0.242764D+00
      4   0.224060D+02  0.382479D+01  0.181429D+02 -0.293451D+02 -0.299118D+01
      5   0.618518D+01  0.415116D+01  0.435579D+01 -0.452395D+01 -0.318668D+01
      6  -0.730796D+01 -0.428528D+01 -0.606463D+01  0.123947D+02  0.657374D+01
               151           152           153           154           155 
      1   0.254301D+01 -0.389461D+00 -0.375618D+01  0.594789D+01 -0.247663D+00
      2   0.103115D+01 -0.575889D+01  0.151645D+01 -0.450319D+00  0.541931D+01
      3  -0.357416D+01  0.614835D+01  0.223973D+01 -0.549757D+01 -0.517164D+01
      4  -0.374524D+01  0.461917D+01 -0.418469D+01  0.168744D+02  0.159720D+02
      5   0.144675D+01 -0.267949D+01 -0.151199D+01  0.146513D+02  0.922316D+01
      6  -0.238623D+01  0.482957D+01  0.237514D+01  0.115383D+02  0.997349D+01
               156           157           158           159           160 
      1   0.126411D+01 -0.184550D+01 -0.528523D+01 -0.358749D+01  0.500074D+00
      2  -0.110372D+01  0.586454D+01  0.113825D+02  0.481154D+01 -0.152782D+01
      3  -0.160391D+00 -0.401904D+01 -0.609727D+01 -0.122405D+01  0.102775D+01
      4   0.114513D+02  0.126042D+02  0.132921D+02  0.829383D+01  0.100280D+02
      5   0.126893D+02  0.590141D+01  0.791015D+01  0.578730D+01  0.123535D+02
      6   0.995885D+01  0.819285D+01  0.119412D+02  0.124041D+02  0.996401D+01
               161           162           163           164           165 
      1  -0.427926D+01 -0.550914D+01  0.909482D+01 -0.171313D+01  0.163623D+01
      2   0.333112D+01 -0.302908D+00 -0.935287D+01  0.481878D+01 -0.800697D+01
      3   0.948144D+00  0.581205D+01  0.258043D+00 -0.310566D+01  0.637074D+01
      4   0.928832D+01  0.111174D+02  0.211902D+02  0.129922D+02  0.148929D+02
      5   0.849186D+01  0.138241D+02  0.217688D+02  0.825619D+01  0.188556D+02
      6   0.147030D+02  0.165001D+02  0.148619D+02  0.920814D+01  0.136360D+02
               166           167           168           169           170 
      1  -0.763766D+00 -0.764847D+00 -0.110822D+01  0.195859D+01 -0.246463D+01
      2   0.332949D+01  0.272205D+01  0.154731D+01 -0.759148D+01  0.292543D-01
      3  -0.256573D+01 -0.195720D+01 -0.439096D+00  0.563288D+01  0.243538D+01
      4   0.666042D+01  0.509444D+01  0.310701D+01  0.125924D+02  0.522172D+01
      5   0.207359D+01  0.348333D+01  0.118947D+01  0.160805D+02  0.515785D+01
      6   0.397699D+01  0.302568D+01  0.545966D+01  0.102814D+02  0.105355D+02
               171           172           173           174           175 
      1  -0.404092D+01 -0.698570D+00  0.166152D+00  0.577837D+00 -0.527492D+00
      2  -0.646216D+01  0.335137D+01  0.450409D+01 -0.292925D+01  0.491763D+01
      3   0.105031D+02 -0.265280D+01 -0.467024D+01  0.235141D+01 -0.439014D+01
      4   0.103433D+02  0.465750D+01  0.902079D+01 -0.130034D+01  0.784218D+01
      5   0.154670D+02  0.547635D+00  0.380379D+00  0.386711D+01  0.420674D+00
      6   0.147480D+02  0.422914D+00 -0.161428D+01  0.165565D+01 -0.146064D+01
               176           177           178           179           180 
      1  -0.145483D+02  0.410929D+01  0.481653D+00  0.929064D+01 -0.386997D+01
      2   0.364920D+02 -0.138286D+02 -0.406090D+01 -0.238475D+02  0.101602D+02
      3  -0.219437D+02  0.971929D+01  0.357925D+01  0.145569D+02 -0.629028D+01
      4   0.999252D+01 -0.409552D+01 -0.429348D+01 -0.810208D+01  0.375731D+01
      5  -0.239667D+01  0.178253D+01  0.240581D+01  0.243025D+01 -0.275532D+01
      6  -0.632865D+01  0.963685D+01  0.123648D+01  0.879173D+01 -0.120460D+02
               181           182           183           184           185 
      1  -0.333723D+01  0.989596D+01  0.949679D+01  0.481414D+01 -0.883422D+01
      2   0.523717D+00 -0.105127D+02 -0.245967D+01 -0.536807D+01  0.109895D+02
      3   0.281352D+01  0.616777D+00 -0.703712D+01  0.553930D+00 -0.215530D+01
      4  -0.138767D+02  0.923711D+01  0.102594D+02  0.663160D+01 -0.694985D+01
      5  -0.960045D+01  0.591980D+01  0.916580D+01  0.296125D+01 -0.473593D+01
      6   0.118077D+02 -0.136670D+02 -0.139621D+02 -0.714331D+01  0.995860D+01
               186           187           188           189           190 
      1  -0.620788D+01  0.626098D+01 -0.894661D+01 -0.123650D+02  0.670248D+01
      2   0.394523D+01 -0.163247D+01  0.426912D+01  0.111512D+01 -0.563972D+01
      3   0.226265D+01 -0.462850D+01  0.467749D+01  0.112499D+02 -0.106276D+01
      4  -0.536132D+01  0.917403D+01 -0.576386D+01 -0.636577D+01  0.333662D+01
      5  -0.267838D+01  0.836534D+01 -0.323866D+01 -0.600661D+01 -0.548079D+01
      6   0.108809D+02 -0.835962D+01  0.151952D+02  0.179939D+02 -0.107120D+01
               191           192           193           194           195 
      1   0.407117D+01 -0.383185D+01  0.929822D+01 -0.245949D-01 -0.146132D+01
      2  -0.278218D+01  0.458147D+01 -0.606160D+01  0.853490D+00  0.286059D+01
      3  -0.128899D+01 -0.749622D+00 -0.323662D+01 -0.828895D+00 -0.139927D+01
      4   0.302814D+01 -0.221173D+01  0.370635D+01  0.327122D+01 -0.608138D+01
      5  -0.315746D+01  0.109364D+02 -0.399898D+01 -0.598803D+01  0.944387D+01
      6  -0.592167D+00 -0.802571D-01 -0.357948D+00 -0.154433D+01  0.211170D+01
               196           197           198           199           200 
      1  -0.979927D+01 -0.498645D-01  0.504141D+01  0.689042D+01 -0.508519D+01
      2   0.774261D+01  0.259078D+01 -0.126324D+02 -0.468308D+00  0.868972D-01
      3   0.205666D+01 -0.254091D+01  0.759099D+01 -0.642211D+01  0.499829D+01
      4  -0.638362D+00 -0.774155D+01  0.660881D+01 -0.774401D+01  0.118251D+02
      5   0.151902D+02  0.768678D+01 -0.257773D+02  0.338906D+00  0.263696D+01
      6  -0.111166D+01  0.291916D+01  0.101991D+01  0.139320D+01 -0.128076D+01
               201           202           203           204           205 
      1   0.835559D+00 -0.101096D+02 -0.224543D+01  0.494197D+00  0.142715D+01
      2  -0.731707D+00 -0.195258D+01  0.206052D+02  0.174551D+01 -0.104648D+01
      3  -0.103852D+00  0.120622D+02 -0.183598D+02 -0.223971D+01 -0.380671D+00
      4   0.227735D+01  0.212817D+02 -0.389897D+02 -0.616318D+01  0.298337D+01
      5   0.337587D+01  0.419944D+01 -0.559094D+01 -0.570052D+01  0.586786D+01
      6  -0.991715D+00 -0.256773D+01  0.729190D+01  0.630731D+01 -0.237047D+01
               206           207           208           209           210 
      1  -0.175131D+00  0.917072D+00  0.523628D+02  0.621720D+01  0.167021D+02
      2   0.167003D+01  0.294837D+00 -0.284059D+02 -0.372414D+01 -0.982581D+01
      3  -0.149490D+01 -0.121191D+01 -0.239569D+02 -0.249305D+01 -0.687630D+01
      4  -0.522838D+01 -0.402304D+01  0.272743D+01  0.787840D+01  0.106866D+01
      5  -0.424545D+01 -0.365224D+01  0.196600D+02  0.220570D+01  0.142102D+02
      6   0.608979D+01  0.245144D+01 -0.198357D+01  0.501086D+00 -0.148562D+01
               211           212           213           214           215 
      1   0.152131D+02  0.605425D+01  0.380435D+01  0.305564D+02  0.243120D+01
      2  -0.874093D+01 -0.146978D+01 -0.204411D+01 -0.178130D+02 -0.145124D+01
      3  -0.647217D+01 -0.458448D+01 -0.176024D+01 -0.127434D+02 -0.979967D+00
      4   0.106295D+02  0.198365D+01  0.312116D+01  0.911799D+00  0.541085D+01
      5   0.580217D+01  0.308702D+01  0.588899D+01  0.210367D+02  0.343319D+01
      6   0.110516D+01  0.146236D+01  0.165258D+01 -0.132525D+01  0.171802D+01
               216           217           218           219           220 
      1   0.128615D+02 -0.557608D+01 -0.413893D+01  0.114009D+02 -0.851143D+00
      2  -0.109495D+02 -0.445617D+01  0.113794D+01  0.357436D+01 -0.596082D+00
      3  -0.191194D+01  0.100323D+02  0.300099D+01 -0.149753D+02  0.144723D+01
      4   0.254412D+01  0.953900D+01  0.227700D+01 -0.531204D+01  0.248692D+01
      5   0.154928D+02 -0.158752D+02 -0.327912D+00  0.102559D+02  0.339784D+00
      6  -0.119466D+01 -0.383147D+01 -0.678333D+01  0.885757D+01 -0.335344D+01
               221           222           223           224           225 
      1  -0.246347D+01  0.537918D+00  0.702029D+01  0.131442D+01 -0.891086D+01
      2   0.344576D+01 -0.231251D+01  0.221577D+01 -0.605652D+00 -0.765687D+01
      3  -0.982293D+00  0.177459D+01 -0.923606D+01 -0.708768D+00  0.165677D+02
      4  -0.123098D+00 -0.102035D+01 -0.466948D+01 -0.141124D+01  0.370360D+01
      5  -0.222447D+01  0.247414D+01  0.107620D+02  0.140508D+01 -0.603367D+01
      6  -0.235352D+01  0.267106D+01  0.408645D+01  0.344528D+01 -0.556789D+01
               226           227           228           229           230 
      1   0.813222D+01  0.179696D+01  0.161149D+01  0.291958D+01 -0.570203D+00
      2  -0.172756D+02 -0.321199D+01 -0.180927D+02 -0.659853D+01 -0.304303D+00
      3   0.914340D+01  0.141503D+01  0.164812D+02  0.367895D+01  0.874506D+00
      4  -0.407772D+01  0.405664D+01 -0.464488D+01  0.248130D+01  0.101998D+00
      5   0.235053D+02  0.725914D+00  0.259760D+02  0.743278D+01  0.477986D+01
      6  -0.230113D+01  0.541065D+01 -0.378440D+01  0.375225D+01  0.134638D+01
               231           232           233           234           235 
      1  -0.143602D+01  0.128923D+01  0.135421D+00 -0.724076D+01 -0.213453D+00
      2  -0.835788D+01 -0.144819D+02 -0.229781D+01 -0.244184D+02  0.199604D+01
      3   0.979390D+01  0.131926D+02  0.216238D+01  0.316591D+02 -0.178258D+01
      4   0.213372D+01 -0.399300D+01  0.200406D+01 -0.293315D+01 -0.485587D+01
      5   0.872182D+01  0.207660D+02  0.144492D+01  0.269098D+02  0.260647D+01
      6   0.409411D+01 -0.229713D+01  0.501070D+01 -0.484024D+01 -0.337669D+01
               236           237           238           239           240 
      1  -0.733643D+00 -0.256356D-01  0.249650D-01 -0.184382D+02  0.543998D+01
      2  -0.439826D+01 -0.154293D+01 -0.575030D+01  0.395348D+02 -0.218422D+01
      3   0.513190D+01  0.156857D+01  0.572534D+01 -0.210966D+02 -0.325576D+01
      4   0.948068D+01 -0.186865D+01  0.101589D+02 -0.200710D+02  0.323710D+01
      5  -0.347536D+01  0.484214D+01 -0.429520D+01  0.589875D+01 -0.308121D+01
      6   0.462811D+01 -0.125575D+01  0.550770D+01 -0.268492D+02  0.105937D+02
               241           242           243 
      1  -0.402994D+00  0.513225D+00 -0.140344D+01
      2  -0.183095D+01  0.387146D+01  0.155357D+01
      3   0.223395D+01 -0.438469D+01 -0.150122D+00
      4   0.937940D+00 -0.205223D+01 -0.125056D+01
      5   0.263329D+01 -0.566421D+00  0.109652D+01
      6  -0.417615D+00  0.404938D+01 -0.363864D+00

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.124878D+01      0.317408D+01      0.105876D+02
   x          0.119406D+01      0.303501D+01      0.101237D+02
   y          0.361083D+00      0.917782D+00      0.306139D+01
   z         -0.572722D-01     -0.145571D+00     -0.485574D+00

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.111083D+03      0.164608D+02      0.183152D+02
   aniso      0.677782D+01      0.100437D+01      0.111751D+01
   xx         0.114673D+03      0.169928D+02      0.189071D+02
   yx         0.741876D+00      0.109935D+00      0.122319D+00
   yy         0.111152D+03      0.164711D+02      0.183266D+02
   zx        -0.758278D-01     -0.112365D-01     -0.125023D-01
   zy         0.127064D+01      0.188290D+00      0.209500D+00
   zz         0.107424D+03      0.159186D+02      0.177118D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.118109D+03      0.175020D+02      0.194736D+02
   aniso      0.812100D+01      0.120341D+01      0.133897D+01
   xx         0.122475D+03      0.181489D+02      0.201934D+02
   yx         0.978043D+00      0.144931D+00      0.161257D+00
   yy         0.117851D+03      0.174637D+02      0.194310D+02
   zx        -0.345238D+00     -0.511590D-01     -0.569221D-01
   zy         0.170587D+01      0.252784D+00      0.281260D+00
   zz         0.114002D+03      0.168934D+02      0.187964D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -0.55440022         -1.17173471          1.46637180
     6          1.24713593         -0.40281855         -0.74703837
     6          2.61574463          1.95369828          0.37119695
     6          0.61118167          3.20421283          2.11301033
     6         -1.72790882          1.51709188          1.71388342
     6         -0.64851552          0.75767177         -2.59136653
     6         -2.67770388          2.04378602         -0.97888926
     6          2.96269757         -2.37144722         -1.89400782
     8         -0.55861599          0.69570881         -4.86420062
     6          0.81723188         -2.06481574          3.84584418
     6         -2.45868432         -3.22133534          0.72414468
     1          4.27649071          1.34110061          1.42471294
     1          3.28137911          3.20941930         -1.12036676
     1          0.22713334          5.15972960          1.59196226
     1          1.21840752          3.21039407          4.07944558
     1         -4.51226610          1.19815270         -1.38517635
     1         -2.81080301          4.04784575         -1.44331081
     1         -3.16957693          1.69960168          3.17277441
     1          4.00883928         -1.57506098         -3.48141387
     1          1.88647425         -3.97428452         -2.61650711
     1          4.32140922         -3.06823164         -0.50746853
     1          2.27154457         -0.76486114          4.49357797
     1          1.71470381         -3.89260491          3.51756908
     1         -0.53462285         -2.30896400          5.38737421
     1         -3.40765854         -2.85339603         -1.06519045
     1         -3.90895316         -3.41456202          2.18009863
     1         -1.51424252         -5.04581279          0.54663261

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.124878D+01      0.317408D+01      0.105876D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.124878D+01      0.317408D+01      0.105876D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.111083D+03      0.164608D+02      0.183152D+02
   aniso      0.677782D+01      0.100437D+01      0.111751D+01
   xx         0.108442D+03      0.160694D+02      0.178797D+02
   yx        -0.200503D+01     -0.297115D+00     -0.330585D+00
   yy         0.110061D+03      0.163093D+02      0.181466D+02
   zx        -0.484440D+00     -0.717866D-01     -0.798734D-01
   zy        -0.579415D+00     -0.858605D-01     -0.955326D-01
   zz         0.114747D+03      0.170037D+02      0.189192D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.118109D+03      0.175020D+02      0.194736D+02
   aniso      0.812100D+01      0.120341D+01      0.133897D+01
   xx         0.115289D+03      0.170841D+02      0.190086D+02
   yx        -0.243753D+01     -0.361205D+00     -0.401894D+00
   yy         0.116443D+03      0.172550D+02      0.191988D+02
   zx        -0.375989D+00     -0.557158D-01     -0.619922D-01
   zy        -0.684028D+00     -0.101362D+00     -0.112781D+00
   zz         0.122596D+03      0.181669D+02      0.202134D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-U23-37\Freq\RB3LYP\Gen\C10H16O1\PIERPA\09-Jul-2021\0\\#P 
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 SUCCESS IS COUNTED SWEETEST
 BY THOSE WHO NE'ER SUCCEED.
 TO COMPREHEND NECTAR
 REQUIRES SOREST NEED.
           EMILY DICKINSON
 Job cpu time:       0 days  6 hours 11 minutes 13.3 seconds.
 Elapsed time:       0 days  0 hours 31 minutes  1.2 seconds.
 File lengths (MBytes):  RWF=    477 Int=      0 D2E=      0 Chk=     15 Scr=      2
 Normal termination of Gaussian 16 at Fri Jul  9 21:53:30 2021.
